4-(aminomethyl)pyrrolidin-2-one

C5H10N2O — CID 19757933

IUPAC4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CNC(=O)C1
InChIInChI=1S/C5H10N2O/c6-2-4-1-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)
InChIKeyTXFBWVRKVAEOPA-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.92
Rot. Bonds1

About 4-(aminomethyl)pyrrolidin-2-one

4-(aminomethyl)pyrrolidin-2-one (PubChem CID 19757933) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)pyrrolidin-2-one
PubChem CID19757933
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CNC(=O)C1
InChIInChI=1S/C5H10N2O/c6-2-4-1-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)
InChIKeyTXFBWVRKVAEOPA-UHFFFAOYSA-N
XLogP-0.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)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)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)pyrrolidin-2-one (CID 19757933) is 4-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)pyrrolidin-2-one is NCC1CNC(=O)C1.
What is the InChIKey of 4-(aminomethyl)pyrrolidin-2-one?
The InChIKey is TXFBWVRKVAEOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-2-4-1-5(8)7-3-4/h4H,1-3,6H2,(H,7,8).
What are the key properties of 4-(aminomethyl)pyrrolidin-2-one?
4-(aminomethyl)pyrrolidin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 19757933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).