7a-methyl-1,7-dihydroindole-2-carboxylic acid

C10H11NO2 — CID 147876409

IUPAC7a-methyl-1,7-dihydroindole-2-carboxylic acid
SMILESCC12CC=CC=C1C=C(C(=O)O)N2
InChIInChI=1S/C10H11NO2/c1-10-5-3-2-4-7(10)6-8(11-10)9(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyHZPJSXYSADEHSY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.20
Rot. Bonds1

About 7a-methyl-1,7-dihydroindole-2-carboxylic acid

7a-methyl-1,7-dihydroindole-2-carboxylic acid (PubChem CID 147876409) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7a-methyl-1,7-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name7a-methyl-1,7-dihydroindole-2-carboxylic acid
PubChem CID147876409
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7a-methyl-1,7-dihydroindole-2-carboxylic acid
SMILESCC12CC=CC=C1C=C(C(=O)O)N2
InChIInChI=1S/C10H11NO2/c1-10-5-3-2-4-7(10)6-8(11-10)9(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyHZPJSXYSADEHSY-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7a-methyl-1,7-dihydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexa-2,4-diene-1,1,2-tricarboxylic acid
CID 154263741
2-(2,3,4,11-tetrahydro-1H-benzo[i]isoquinolin-1-yl)acetic acid
CID 87827186
1-[(4a-methyl-5H-naphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 163892374
cyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 174365369
1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol
CID 159742479
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid
CID 68534142
1,6,6-trimethylcyclohexa-1,3-diene
CID 57009122
3-amino-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 175581785
2,4-dihydro-1H-indazole-3-carboxylic acid
CID 141444850
3-[2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)ethyl]-2-methylbenzoic acid
CID 151043879
6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
CID 163038359

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1,7-dihydroindole-2-carboxylic acid?
The IUPAC name of 7a-methyl-1,7-dihydroindole-2-carboxylic acid (CID 147876409) is 7a-methyl-1,7-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 7a-methyl-1,7-dihydroindole-2-carboxylic acid?
The canonical SMILES for 7a-methyl-1,7-dihydroindole-2-carboxylic acid is CC12CC=CC=C1C=C(C(=O)O)N2.
What is the InChIKey of 7a-methyl-1,7-dihydroindole-2-carboxylic acid?
The InChIKey is HZPJSXYSADEHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10-5-3-2-4-7(10)6-8(11-10)9(12)13/h2-4,6,11H,5H2,1H3,(H,12,13).
What are the key properties of 7a-methyl-1,7-dihydroindole-2-carboxylic acid?
7a-methyl-1,7-dihydroindole-2-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1,7-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 147876409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).