1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid

C15H13NO3 — CID 66610575

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H]2CCc3ccccc32)c1=O
InChIInChI=1S/C15H13NO3/c17-14-12(15(18)19)6-3-9-16(14)13-8-7-10-4-1-2-5-11(10)13/h1-6,9,13H,7-8H2,(H,18,19)/t13-/m1/s1
InChIKeyRDMIBZKCHSMMDG-CYBMUJFWSA-N
MW255.27 g/mol
LogP2.08
Rot. Bonds2

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 66610575) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID66610575
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H]2CCc3ccccc32)c1=O
InChIInChI=1S/C15H13NO3/c17-14-12(15(18)19)6-3-9-16(14)13-8-7-10-4-1-2-5-11(10)13/h1-6,9,13H,7-8H2,(H,18,19)/t13-/m1/s1
InChIKeyRDMIBZKCHSMMDG-CYBMUJFWSA-N
XLogP2.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-2-oxopyridine-3-carboxylic acid;1-(2,3-dihydro-1H-inden-1-yl)-2-oxo-N-pyridin-4-ylpyridine-3-carboxamide;pyridin-4-amine
CID 161111554
3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
CID 59324919
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
1-(2,3-dihydro-1H-inden-1-yl)indole
CID 139228300
1-(4-cyano-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide;tris(N-cyclohexyl-1-(2,3-dihydro-1H-inden-1-yl)-2-oxopyridine-3-carboxamide);N-cyclohexyl-1-(4-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxopyridine-3-carboxamide;N,N-dimethylmethanamine;ethane;methanamine;N-methylmethanamine
CID 159365536
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 58102888
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
3-(2,3-dihydro-1H-inden-1-yl)-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylic acid
CID 129279428
4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid
CID 65067081

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid (CID 66610575) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn([C@@H]2CCc3ccccc32)c1=O.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is RDMIBZKCHSMMDG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-12(15(18)19)6-3-9-16(14)13-8-7-10-4-1-2-5-11(10)13/h1-6,9,13H,7-8H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66610575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).