4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

C9H16N2O — CID 168659192

IUPAC4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1CC(CN)CC1=O
InChIInChI=1S/C9H16N2O/c1-7(2)5-11-6-8(4-10)3-9(11)12/h8H,1,3-6,10H2,2H3
InChIKeyXSVLUMOZGCGYMK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.37
Rot. Bonds3

About 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 168659192) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID168659192
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1CC(CN)CC1=O
InChIInChI=1S/C9H16N2O/c1-7(2)5-11-6-8(4-10)3-9(11)12/h8H,1,3-6,10H2,2H3
InChIKeyXSVLUMOZGCGYMK-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-1-(2-methylprop-2-enyl)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 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 168659192) is 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CN1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is XSVLUMOZGCGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)5-11-6-8(4-10)3-9(11)12/h8H,1,3-6,10H2,2H3.
What are the key properties of 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 168659192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).