3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C13H18N2O2 — CID 47416186

IUPAC3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC(C)C1CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O2/c1-9(2)11-6-4-8-15(11)13(17)10-5-3-7-14-12(10)16/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,14,16)
InChIKeyDFSNIOXDJVFKLJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.64
Rot. Bonds2

About 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 47416186) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID47416186
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC(C)C1CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O2/c1-9(2)11-6-4-8-15(11)13(17)10-5-3-7-14-12(10)16/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,14,16)
InChIKeyDFSNIOXDJVFKLJ-UHFFFAOYSA-N
XLogP1.64
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 76314156
1-butyl-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 76332282
3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one
CID 127460641
N-(1-cyclopropylethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 42925021
N-[(2S)-3-methylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 29842094
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 30481294
1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86287229
2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyridine-3-carboxamide
CID 96999308
N-[(2S)-1-[ethyl-(2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97099333
N-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177665074
1-(2-methylpropyl)-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 177665727

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 47416186) is 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is CC(C)C1CCCN1C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is DFSNIOXDJVFKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)11-6-4-8-15(11)13(17)10-5-3-7-14-12(10)16/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 47416186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).