(3E)-3-(4-methylpentylidene)pyrrolidin-2-one

C10H17NO — CID 59887929

IUPAC(3E)-3-(4-methylpentylidene)pyrrolidin-2-one
SMILESCC(C)CC/C=C1\CCNC1=O
InChIInChI=1S/C10H17NO/c1-8(2)4-3-5-9-6-7-11-10(9)12/h5,8H,3-4,6-7H2,1-2H3,(H,11,12)/b9-5+
InChIKeyGQPVIWLYPJQXLR-WEVVVXLNSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds3

About (3E)-3-(4-methylpentylidene)pyrrolidin-2-one

(3E)-3-(4-methylpentylidene)pyrrolidin-2-one (PubChem CID 59887929) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E)-3-(4-methylpentylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-(4-methylpentylidene)pyrrolidin-2-one
PubChem CID59887929
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E)-3-(4-methylpentylidene)pyrrolidin-2-one
SMILESCC(C)CC/C=C1\CCNC1=O
InChIInChI=1S/C10H17NO/c1-8(2)4-3-5-9-6-7-11-10(9)12/h5,8H,3-4,6-7H2,1-2H3,(H,11,12)/b9-5+
InChIKeyGQPVIWLYPJQXLR-WEVVVXLNSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-(4-methylpentylidene)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

Related Compounds

(E)-3-Ethylidenepyrrolidin-2-one
CID 20088381
(2E)-3,7-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]octa-2,6-dienamide
CID 44756509
3-Ethylidenepyrrolidin-2-one
CID 53701396
(3Z)-3-ethylidenepyrrolidin-2-one
CID 5317249
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685
(3E)-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 154711077
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711150
(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711264
(Z)-4-methyl-N,2-di(propan-2-yl)pent-2-enamide
CID 12902086
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide
CID 11564919
N-(3-methylbutyl)cyclopentene-1-carboxamide
CID 21571794
(3E)-3-[(E)-but-2-enylidene]pyrrolidin-2-one
CID 23389008

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(4-methylpentylidene)pyrrolidin-2-one?
The IUPAC name of (3E)-3-(4-methylpentylidene)pyrrolidin-2-one (CID 59887929) is (3E)-3-(4-methylpentylidene)pyrrolidin-2-one.
What is the SMILES notation for (3E)-3-(4-methylpentylidene)pyrrolidin-2-one?
The canonical SMILES for (3E)-3-(4-methylpentylidene)pyrrolidin-2-one is CC(C)CC/C=C1\CCNC1=O.
What is the InChIKey of (3E)-3-(4-methylpentylidene)pyrrolidin-2-one?
The InChIKey is GQPVIWLYPJQXLR-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)4-3-5-9-6-7-11-10(9)12/h5,8H,3-4,6-7H2,1-2H3,(H,11,12)/b9-5+.
What are the key properties of (3E)-3-(4-methylpentylidene)pyrrolidin-2-one?
(3E)-3-(4-methylpentylidene)pyrrolidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(4-methylpentylidene)pyrrolidin-2-one is sourced from PubChem (CID 59887929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).