methyl 4-amino-1H-indole-6-carboxylate

C10H10N2O2 — CID 14243967

IUPACmethyl 4-amino-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(N)c2cc[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,11H2,1H3
InChIKeyDJZJHJRWIVNSIT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.54
Rot. Bonds1

About methyl 4-amino-1H-indole-6-carboxylate

methyl 4-amino-1H-indole-6-carboxylate (PubChem CID 14243967) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 4-amino-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1H-indole-6-carboxylate
PubChem CID14243967
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 4-amino-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(N)c2cc[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,11H2,1H3
InChIKeyDJZJHJRWIVNSIT-UHFFFAOYSA-N
XLogP1.54
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-amino-1H-indole-6-carboxylate (CID 14243967) is methyl 4-amino-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-amino-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-amino-1H-indole-6-carboxylate is COC(=O)c1cc(N)c2cc[nH]c2c1.
What is the InChIKey of methyl 4-amino-1H-indole-6-carboxylate?
The InChIKey is DJZJHJRWIVNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,11H2,1H3.
What are the key properties of methyl 4-amino-1H-indole-6-carboxylate?
methyl 4-amino-1H-indole-6-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1H-indole-6-carboxylate is sourced from PubChem (CID 14243967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).