3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one

C16H20N2O3 — CID 106741554

IUPAC3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C16H20N2O3/c19-14-6-2-1-4-11(14)13-5-3-9-18(13)16(21)12-10-17-8-7-15(12)20/h7-8,10-11,13H,1-6,9H2,(H,17,20)
InChIKeyYSEFAMPQBUTXEN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.74
Rot. Bonds2

About 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one

3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 106741554) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID106741554
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C16H20N2O3/c19-14-6-2-1-4-11(14)13-5-3-9-18(13)16(21)12-10-17-8-7-15(12)20/h7-8,10-11,13H,1-6,9H2,(H,17,20)
InChIKeyYSEFAMPQBUTXEN-UHFFFAOYSA-N
XLogP1.74
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337686
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546267
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 96535372
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546011
2-[1-(2-chloro-5-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 106501100
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114820809
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539008
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one (CID 106741554) is 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one is O=C1CCCCC1C1CCCN1C(=O)c1c[nH]ccc1=O.
What is the InChIKey of 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is YSEFAMPQBUTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14-6-2-1-4-11(14)13-5-3-9-18(13)16(21)12-10-17-8-7-15(12)20/h7-8,10-11,13H,1-6,9H2,(H,17,20).
What are the key properties of 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 106741554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).