2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid

C10H11NO2 — CID 117202955

IUPAC2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
SMILESCC1Cc2c(cccc2C(=O)O)N1
InChIInChI=1S/C10H11NO2/c1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyXPVMAFPMLNHQFI-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid

2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid (PubChem CID 117202955) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
PubChem CID117202955
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
SMILESCC1Cc2c(cccc2C(=O)O)N1
InChIInChI=1S/C10H11NO2/c1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyXPVMAFPMLNHQFI-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-undecyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 70486415
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705
2-methyl-2,3-dihydro-1H-indol-4-amine
CID 130045562
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 130904182
acetic acid;acetyl acetate;2-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 90984715
(2S,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551920
(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551926
(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole
CID 130614963
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
2,2-dioxo-1,3-dihydro-2,1-benzothiazole-4-carboxylic acid
CID 45480245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid?
The IUPAC name of 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid (CID 117202955) is 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid is CC1Cc2c(cccc2C(=O)O)N1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid?
The InChIKey is XPVMAFPMLNHQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-5-8-7(10(12)13)3-2-4-9(8)11-6/h2-4,6,11H,5H2,1H3,(H,12,13).
What are the key properties of 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid?
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid is sourced from PubChem (CID 117202955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).