methyl 7-amino-1-methylindole-5-carboxylate

C11H12N2O2 — CID 118394722

IUPACmethyl 7-amino-1-methylindole-5-carboxylate
SMILESCOC(=O)c1cc(N)c2c(ccn2C)c1
InChIInChI=1S/C11H12N2O2/c1-13-4-3-7-5-8(11(14)15-2)6-9(12)10(7)13/h3-6H,12H2,1-2H3
InChIKeyQTIJYJMXHBFMNP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.55
Rot. Bonds1

About methyl 7-amino-1-methylindole-5-carboxylate

methyl 7-amino-1-methylindole-5-carboxylate (PubChem CID 118394722) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 7-amino-1-methylindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-1-methylindole-5-carboxylate
PubChem CID118394722
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 7-amino-1-methylindole-5-carboxylate
SMILESCOC(=O)c1cc(N)c2c(ccn2C)c1
InChIInChI=1S/C11H12N2O2/c1-13-4-3-7-5-8(11(14)15-2)6-9(12)10(7)13/h3-6H,12H2,1-2H3
InChIKeyQTIJYJMXHBFMNP-UHFFFAOYSA-N
XLogP1.55
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 7-amino-1-methylindole-5-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 7-amino-2-bromo-1-benzofuran-5-carboxylate
CID 83920390
methyl 3-amino-4-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537177
methyl 4-amino-6-cyanonaphthalene-2-carboxylate
CID 18680096
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
CID 175301452
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 3-amino-4-hydrazinylbenzoate
CID 22411187
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
methyl 3-amino-4-[2-(2-amino-4-methoxycarbonylphenyl)ethenyl]benzoate
CID 91202728
methyl 4-amino-3-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537196
methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate
CID 69359615

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-1-methylindole-5-carboxylate?
The IUPAC name of methyl 7-amino-1-methylindole-5-carboxylate (CID 118394722) is methyl 7-amino-1-methylindole-5-carboxylate.
What is the SMILES notation for methyl 7-amino-1-methylindole-5-carboxylate?
The canonical SMILES for methyl 7-amino-1-methylindole-5-carboxylate is COC(=O)c1cc(N)c2c(ccn2C)c1.
What is the InChIKey of methyl 7-amino-1-methylindole-5-carboxylate?
The InChIKey is QTIJYJMXHBFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-4-3-7-5-8(11(14)15-2)6-9(12)10(7)13/h3-6H,12H2,1-2H3.
What are the key properties of methyl 7-amino-1-methylindole-5-carboxylate?
methyl 7-amino-1-methylindole-5-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-1-methylindole-5-carboxylate is sourced from PubChem (CID 118394722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).