methyl 5-formamido-1H-indole-2-carboxylate

C11H10N2O3 — CID 91809592

IUPACmethyl 5-formamido-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC=O)ccc2[nH]1
InChIInChI=1S/C11H10N2O3/c1-16-11(15)10-5-7-4-8(12-6-14)2-3-9(7)13-10/h2-6,13H,1H3,(H,12,14)
InChIKeyNCMVWXBLZUJDLU-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.52
Rot. Bonds3

About methyl 5-formamido-1H-indole-2-carboxylate

methyl 5-formamido-1H-indole-2-carboxylate (PubChem CID 91809592) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 5-formamido-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-formamido-1H-indole-2-carboxylate
PubChem CID91809592
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 5-formamido-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(NC=O)ccc2[nH]1
InChIInChI=1S/C11H10N2O3/c1-16-11(15)10-5-7-4-8(12-6-14)2-3-9(7)13-10/h2-6,13H,1H3,(H,12,14)
InChIKeyNCMVWXBLZUJDLU-UHFFFAOYSA-N
XLogP1.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 5-formamido-1H-indole-2-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 5-formamido-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-formamido-1H-indole-2-carboxylate (CID 91809592) is methyl 5-formamido-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-formamido-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-formamido-1H-indole-2-carboxylate is COC(=O)c1cc2cc(NC=O)ccc2[nH]1.
What is the InChIKey of methyl 5-formamido-1H-indole-2-carboxylate?
The InChIKey is NCMVWXBLZUJDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-11(15)10-5-7-4-8(12-6-14)2-3-9(7)13-10/h2-6,13H,1H3,(H,12,14).
What are the key properties of methyl 5-formamido-1H-indole-2-carboxylate?
methyl 5-formamido-1H-indole-2-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-formamido-1H-indole-2-carboxylate is sourced from PubChem (CID 91809592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).