1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one

C14H22N2O — CID 60931847

IUPAC1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CC2CC=CC21
InChIInChI=1S/C14H22N2O/c1-10(9-16-7-3-6-14(16)17)15-13-8-11-4-2-5-12(11)13/h2,5,10-13,15H,3-4,6-9H2,1H3
InChIKeyXAYRLYZLQGQIPK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one

1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one (PubChem CID 60931847) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one
PubChem CID60931847
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CC2CC=CC21
InChIInChI=1S/C14H22N2O/c1-10(9-16-7-3-6-14(16)17)15-13-8-11-4-2-5-12(11)13/h2,5,10-13,15H,3-4,6-9H2,1H3
InChIKeyXAYRLYZLQGQIPK-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]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

1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-[2-[(1,1-dioxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865825
1-[2-[(1-oxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54981585
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one
CID 81329176
4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79210711
1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
CID 60936516
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one (CID 60931847) is 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1CC2CC=CC21.
What is the InChIKey of 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one?
The InChIKey is XAYRLYZLQGQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(9-16-7-3-6-14(16)17)15-13-8-11-4-2-5-12(11)13/h2,5,10-13,15H,3-4,6-9H2,1H3.
What are the key properties of 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one?
1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 60931847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).