(4S)-4-(2-methylpentyl)pyrrolidin-2-one

C10H19NO — CID 54458204

IUPAC(4S)-4-(2-methylpentyl)pyrrolidin-2-one
SMILESCCCC(C)C[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-4-8(2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8?,9-/m0/s1
InChIKeyWZRXSWXSBYELKB-GKAPJAKFSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds4

About (4S)-4-(2-methylpentyl)pyrrolidin-2-one

(4S)-4-(2-methylpentyl)pyrrolidin-2-one (PubChem CID 54458204) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4S)-4-(2-methylpentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-methylpentyl)pyrrolidin-2-one
PubChem CID54458204
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4S)-4-(2-methylpentyl)pyrrolidin-2-one
SMILESCCCC(C)C[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-4-8(2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8?,9-/m0/s1
InChIKeyWZRXSWXSBYELKB-GKAPJAKFSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-(2-methylpentyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylpentyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2-methylpentyl)pyrrolidin-2-one (CID 54458204) is (4S)-4-(2-methylpentyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2-methylpentyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2-methylpentyl)pyrrolidin-2-one is CCCC(C)C[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-(2-methylpentyl)pyrrolidin-2-one?
The InChIKey is WZRXSWXSBYELKB-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-8(2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8?,9-/m0/s1.
What are the key properties of (4S)-4-(2-methylpentyl)pyrrolidin-2-one?
(4S)-4-(2-methylpentyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpentyl)pyrrolidin-2-one is sourced from PubChem (CID 54458204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).