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CAS 10312-40-0 5-ethyl-2-Pyrrolidinone molecular structure lightbox
CAS RN: 10312-40-0

5-ethyl-2-Pyrrolidinone

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Batchno.20251205 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10312-40-0
  • Purity/Analytical Methods: >99.0%
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10312-40-0 / 5-ethylpyrrolidin-2-one

5-ethylpyrrolidin-2-one | (5R)-5-ETHYLPYRROLIDIN-2-ONE | RefChem:404411

Standard CAS: 10312-40-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10312-40-0
Multi CAS
No
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
CCC1CCC(=O)N1
InChI
InChI=1S/C6H11NO/c1-2-5-3-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)
InChIKey
QMXPTUUFGSTIKK-UHFFFAOYSA-N
Synonyms
5-ethylpyrrolidin-2-one (5R)-5-ETHYLPYRROLIDIN-2-ONE RefChem:404411 835-678-4 973-058-6

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.46
TPSA
29.1

LogP / Solubility

WLOGP
0.68
MLOGP
0.58
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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