5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid

C10H11NO2 — CID 117110479

IUPAC5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)NCC2
InChIInChI=1S/C10H11NO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyPCCIEDGRCHMKEW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.66
Rot. Bonds1

About 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid

5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid (PubChem CID 117110479) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
PubChem CID117110479
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)NCC2
InChIInChI=1S/C10H11NO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyPCCIEDGRCHMKEW-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 71756595
6-chloro-5-methyl-2,3-dihydro-1H-indole
CID 22186080
2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
CID 116611875
7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 171080337
1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
CID 12936177
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
CID 162313209
CID 162313209

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The IUPAC name of 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid (CID 117110479) is 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid.
What is the SMILES notation for 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The canonical SMILES for 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid is Cc1cc2c(cc1C(=O)O)NCC2.
What is the InChIKey of 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The InChIKey is PCCIEDGRCHMKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h4-5,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid?
5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid is sourced from PubChem (CID 117110479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).