methyl 2-amino-3-cyano-1H-indole-7-carboxylate

C11H9N3O2 — CID 156876787

IUPACmethyl 2-amino-3-cyano-1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2c(C#N)c(N)[nH]c12
InChIInChI=1S/C11H9N3O2/c1-16-11(15)7-4-2-3-6-8(5-12)10(13)14-9(6)7/h2-4,14H,13H2,1H3
InChIKeyLIIVMSXPRBGDDW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.41
Rot. Bonds1

About methyl 2-amino-3-cyano-1H-indole-7-carboxylate

methyl 2-amino-3-cyano-1H-indole-7-carboxylate (PubChem CID 156876787) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 2-amino-3-cyano-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyano-1H-indole-7-carboxylate
PubChem CID156876787
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-amino-3-cyano-1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2c(C#N)c(N)[nH]c12
InChIInChI=1S/C11H9N3O2/c1-16-11(15)7-4-2-3-6-8(5-12)10(13)14-9(6)7/h2-4,14H,13H2,1H3
InChIKeyLIIVMSXPRBGDDW-UHFFFAOYSA-N
XLogP1.41
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-cyano-1H-indole-7-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

methyl 2-chloro-3-cyano-1H-indole-7-carboxylate
CID 56605259
methyl 2-amino-3-cyano-1H-indole-4-carboxylate
CID 156877058
methyl 3-chloro-2-cyanobenzoate
CID 55264601
methyl 2-cyano-3-ethylbenzoate
CID 129259589
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methyl 2-cyano-3-ethylsulfanylbenzoate
CID 91876242
methyl 3-(cyanomethyl)-1H-indole-7-carboxylate
CID 909098
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913
2-O-ethyl 1-O-methyl 3-cyanobenzene-1,2-dicarboxylate
CID 91882348
methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate
CID 169393810

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyano-1H-indole-7-carboxylate?
The IUPAC name of methyl 2-amino-3-cyano-1H-indole-7-carboxylate (CID 156876787) is methyl 2-amino-3-cyano-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 2-amino-3-cyano-1H-indole-7-carboxylate?
The canonical SMILES for methyl 2-amino-3-cyano-1H-indole-7-carboxylate is COC(=O)c1cccc2c(C#N)c(N)[nH]c12.
What is the InChIKey of methyl 2-amino-3-cyano-1H-indole-7-carboxylate?
The InChIKey is LIIVMSXPRBGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-16-11(15)7-4-2-3-6-8(5-12)10(13)14-9(6)7/h2-4,14H,13H2,1H3.
What are the key properties of methyl 2-amino-3-cyano-1H-indole-7-carboxylate?
methyl 2-amino-3-cyano-1H-indole-7-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyano-1H-indole-7-carboxylate is sourced from PubChem (CID 156876787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).