methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate

C11H12N2O3 — CID 22382719

IUPACmethyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C11H12N2O3/c1-16-11(15)13-5-4-7-2-3-8(10(12)14)6-9(7)13/h2-3,6H,4-5H2,1H3,(H2,12,14)
InChIKeyHEESOEAMLHSRNV-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.91
Rot. Bonds1

About methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate

methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate (PubChem CID 22382719) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate
PubChem CID22382719
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C11H12N2O3/c1-16-11(15)13-5-4-7-2-3-8(10(12)14)6-9(7)13/h2-3,6H,4-5H2,1H3,(H2,12,14)
InChIKeyHEESOEAMLHSRNV-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 6-carbamoyl-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

Related Compounds

1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576
1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide
CID 22382483
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxamide
CID 175851007
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide
CID 176666413
1-methylsulfonyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 162309885
1-N-methyl-6-N-phenyl-2,3-dihydroindole-1,6-dicarboxamide
CID 53014628
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278

Frequently Asked Questions

What is the IUPAC name of methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate (CID 22382719) is methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate is COC(=O)N1CCc2ccc(C(N)=O)cc21.
What is the InChIKey of methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is HEESOEAMLHSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-11(15)13-5-4-7-2-3-8(10(12)14)6-9(7)13/h2-3,6H,4-5H2,1H3,(H2,12,14).
What are the key properties of methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate?
methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 22382719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).