1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid

C15H17NO3 — CID 117401862

IUPAC1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C1Cc2c(cccc2C2(C(=O)O)CCCCC2)N1
InChIInChI=1S/C15H17NO3/c17-13-9-10-11(5-4-6-12(10)16-13)15(14(18)19)7-2-1-3-8-15/h4-6H,1-3,7-9H2,(H,16,17)(H,18,19)
InChIKeyUJUKWKACQOGFNS-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.47
Rot. Bonds2

About 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid

1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 117401862) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid
PubChem CID117401862
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C1Cc2c(cccc2C2(C(=O)O)CCCCC2)N1
InChIInChI=1S/C15H17NO3/c17-13-9-10-11(5-4-6-12(10)16-13)15(14(18)19)7-2-1-3-8-15/h4-6H,1-3,7-9H2,(H,16,17)(H,18,19)
InChIKeyUJUKWKACQOGFNS-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)cyclopentane-1-carboxylic acid
CID 117401838
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117435901
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-[3-fluoro-2-(fluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117388729
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
CID 117401849
1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
CID 117453717

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid (CID 117401862) is 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid is O=C1Cc2c(cccc2C2(C(=O)O)CCCCC2)N1.
What is the InChIKey of 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is UJUKWKACQOGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-9-10-11(5-4-6-12(10)16-13)15(14(18)19)7-2-1-3-8-15/h4-6H,1-3,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid?
1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydroindol-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117401862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).