1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid

C17H21NO3 — CID 106826429

IUPAC1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
SMILESCC1(C(=O)N2CCc3ccc(C(=O)O)cc32)CCCCC1
InChIInChI=1S/C17H21NO3/c1-17(8-3-2-4-9-17)16(21)18-10-7-12-5-6-13(15(19)20)11-14(12)18/h5-6,11H,2-4,7-10H2,1H3,(H,19,20)
InChIKeyIQSDJPYLSXLQCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid

1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid (PubChem CID 106826429) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
PubChem CID106826429
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
SMILESCC1(C(=O)N2CCc3ccc(C(=O)O)cc32)CCCCC1
InChIInChI=1S/C17H21NO3/c1-17(8-3-2-4-9-17)16(21)18-10-7-12-5-6-13(15(19)20)11-14(12)18/h5-6,11H,2-4,7-10H2,1H3,(H,19,20)
InChIKeyIQSDJPYLSXLQCA-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 106827391
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119324743
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane
CID 143423545
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid (CID 106826429) is 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid is CC1(C(=O)N2CCc3ccc(C(=O)O)cc32)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is IQSDJPYLSXLQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(8-3-2-4-9-17)16(21)18-10-7-12-5-6-13(15(19)20)11-14(12)18/h5-6,11H,2-4,7-10H2,1H3,(H,19,20).
What are the key properties of 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid?
1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 106826429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).