methyl 2,3-dihydroindole-1-carboxylate

C10H11NO2 — CID 690083

IUPACmethyl 2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2ccccc21
InChIInChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyFAXJQPQXTRSDGW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.82
Rot. Bonds

About methyl 2,3-dihydroindole-1-carboxylate

methyl 2,3-dihydroindole-1-carboxylate (PubChem CID 690083) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydroindole-1-carboxylate
PubChem CID690083
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2ccccc21
InChIInChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyFAXJQPQXTRSDGW-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2,3-dihydroindole-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl 2,3-dihydroindole-1-carboxylate (CID 690083) is methyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 2,3-dihydroindole-1-carboxylate is COC(=O)N1CCc2ccccc21.
What is the InChIKey of methyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is FAXJQPQXTRSDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3.
What are the key properties of methyl 2,3-dihydroindole-1-carboxylate?
methyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 690083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).