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CAS 4831-43-0 3,3-Dimethyl-2-pyrrolidinone molecular structure lightbox
CAS RN: 4831-43-0

3,3-Dimethyl-2-pyrrolidinone

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-155177
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4831-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

4831-43-0 / 3,3-dimethylpyrrolidin-2-one

Standard CAS: 4831-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4831-43-0
Multi CAS
Yes
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
InChI
InChI=1S/C6H11NO/c1-6(2)3-4-7-5(6)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
IYZVTTRRGCJXGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.41
TPSA
29.1

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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