4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one

C9H13N3O — CID 83529866

IUPAC4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc[nH]2)C1
InChIInChI=1S/C9H13N3O/c10-5-7-4-9(13)12(6-7)8-2-1-3-11-8/h1-3,7,11H,4-6,10H2
InChIKeyNSWDWARSWFDPEO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.33
Rot. Bonds2

About 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one (PubChem CID 83529866) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
PubChem CID83529866
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc[nH]2)C1
InChIInChI=1S/C9H13N3O/c10-5-7-4-9(13)12(6-7)8-2-1-3-11-8/h1-3,7,11H,4-6,10H2
InChIKeyNSWDWARSWFDPEO-UHFFFAOYSA-N
XLogP0.33
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-1-(1H-pyrrol-2-yl)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

3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168661300
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 168661390
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168506181

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one (CID 83529866) is 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2ccc[nH]2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
The InChIKey is NSWDWARSWFDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-5-7-4-9(13)12(6-7)8-2-1-3-11-8/h1-3,7,11H,4-6,10H2.
What are the key properties of 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 83529866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).