3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one

C11H15N3O2 — CID 168659830

IUPAC3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(N2CC(CN)CC2=O)c1
InChIInChI=1S/C11H15N3O2/c1-7-2-9(11(16)13-5-7)14-6-8(4-12)3-10(14)15/h2,5,8H,3-4,6,12H2,1H3,(H,13,16)
InChIKeyRSJWJVRXBDUWJH-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.01
Rot. Bonds2

About 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one

3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one (PubChem CID 168659830) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
PubChem CID168659830
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(N2CC(CN)CC2=O)c1
InChIInChI=1S/C11H15N3O2/c1-7-2-9(11(16)13-5-7)14-6-8(4-12)3-10(14)15/h2,5,8H,3-4,6,12H2,1H3,(H,13,16)
InChIKeyRSJWJVRXBDUWJH-UHFFFAOYSA-N
XLogP-0.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]cyclopropanecarboxamide
CID 45496884
3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]butanamide
CID 45498147
6-ethyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-4-carboxamide
CID 74245334
(2S)-2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 94026741
2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
CID 125136966
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 126454293
4-[(5Z)-4-ethenyl-5-ethylidene-3-[(1Z)-4-(fluoromethyl)penta-1,4-dienyl]-2-methyl-6-oxopyrazin-1-yl]-N-ethylbutanamide
CID 166885952
(4aR,7aS)-6-ethyl-3-methyl-4a,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-2,5,7-trione
CID 138964070
2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 45825610
3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 47137187
1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide
CID 47492056
1-tert-butyl-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
CID 53508612

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one (CID 168659830) is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(N2CC(CN)CC2=O)c1.
What is the InChIKey of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
The InChIKey is RSJWJVRXBDUWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-2-9(11(16)13-5-7)14-6-8(4-12)3-10(14)15/h2,5,8H,3-4,6,12H2,1H3,(H,13,16).
What are the key properties of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.01, 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]-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 168659830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).