5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one

C14H18N2O2 — CID 78989346

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC2CCCCC21
InChIInChI=1S/C14H18N2O2/c17-13-6-5-11(9-15-13)14(18)16-8-7-10-3-1-2-4-12(10)16/h5-6,9-10,12H,1-4,7-8H2,(H,15,17)
InChIKeyKEZPDBWVAPKFQX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.78
Rot. Bonds1

About 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one

5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one (PubChem CID 78989346) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
PubChem CID78989346
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC2CCCCC21
InChIInChI=1S/C14H18N2O2/c17-13-6-5-11(9-15-13)14(18)16-8-7-10-3-1-2-4-12(10)16/h5-6,9-10,12H,1-4,7-8H2,(H,15,17)
InChIKeyKEZPDBWVAPKFQX-UHFFFAOYSA-N
XLogP1.78
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyridin-2-one
CID 65320539
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-hydrazinylphenyl)methanone
CID 82752954
2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145
1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43120481
3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775469
5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 167899187
5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78992331
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one (CID 78989346) is 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC2CCCCC21.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is KEZPDBWVAPKFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13-6-5-11(9-15-13)14(18)16-8-7-10-3-1-2-4-12(10)16/h5-6,9-10,12H,1-4,7-8H2,(H,15,17).
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one?
5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 78989346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).