3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

C10H13N3O2 — CID 168661300

IUPAC3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESNCC1CC(=O)N(c2ccc[nH]c2=O)C1
InChIInChI=1S/C10H13N3O2/c11-5-7-4-9(14)13(6-7)8-2-1-3-12-10(8)15/h1-3,7H,4-6,11H2,(H,12,15)
InChIKeyYLEBKJOTUJAGPM-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.31
Rot. Bonds2

About 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 168661300) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID168661300
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESNCC1CC(=O)N(c2ccc[nH]c2=O)C1
InChIInChI=1S/C10H13N3O2/c11-5-7-4-9(14)13(6-7)8-2-1-3-12-10(8)15/h1-3,7H,4-6,11H2,(H,12,15)
InChIKeyYLEBKJOTUJAGPM-UHFFFAOYSA-N
XLogP-0.31
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
CID 83529866
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-(aminomethyl)-1-(1-methylindazol-4-yl)pyrrolidin-2-one
CID 168660105
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
CID 168660883
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
CID 168659058
4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168659957

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (CID 168661300) is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is NCC1CC(=O)N(c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is YLEBKJOTUJAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-5-7-4-9(14)13(6-7)8-2-1-3-12-10(8)15/h1-3,7H,4-6,11H2,(H,12,15).
What are the key properties of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 207.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 168661300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).