5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one

C8H13ClN2O — CID 82504519

IUPAC5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one
SMILESNCC1CCC(=O)N1C/C=C/Cl
InChIInChI=1S/C8H13ClN2O/c9-4-1-5-11-7(6-10)2-3-8(11)12/h1,4,7H,2-3,5-6,10H2/b4-1+
InChIKeyMETUGHHVQPHFCG-DAFODLJHSA-N
MW188.66 g/mol
LogP0.69
Rot. Bonds3

About 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one

5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one (PubChem CID 82504519) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one
PubChem CID82504519
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one
SMILESNCC1CCC(=O)N1C/C=C/Cl
InChIInChI=1S/C8H13ClN2O/c9-4-1-5-11-7(6-10)2-3-8(11)12/h1,4,7H,2-3,5-6,10H2/b4-1+
InChIKeyMETUGHHVQPHFCG-DAFODLJHSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(aminomethyl)-1-[(E)-3-chloroprop-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 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one (CID 82504519) is 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one is NCC1CCC(=O)N1C/C=C/Cl.
What is the InChIKey of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one?
The InChIKey is METUGHHVQPHFCG-DAFODLJHSA-N. The full InChI is InChI=1S/C8H13ClN2O/c9-4-1-5-11-7(6-10)2-3-8(11)12/h1,4,7H,2-3,5-6,10H2/b4-1+.
What are the key properties of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one?
5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one has a molecular weight of 188.66 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 82504519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).