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

C10H10N2O2 — CID 18550972

IUPACmethyl 7-amino-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,11H2,1H3
InChIKeyNKYUGWBYVMTVDX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.54
Rot. Bonds1

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

methyl 7-amino-1H-indole-2-carboxylate (PubChem CID 18550972) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 7-amino-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-1H-indole-2-carboxylate
PubChem CID18550972
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 7-amino-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,11H2,1H3
InChIKeyNKYUGWBYVMTVDX-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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Related Compounds

methyl 7-hydroxy-1H-indole-2-carboxylate
CID 13089718
methyl 7-acetyl-1H-indole-2-carboxylate
CID 130131539
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
1-(7-amino-1H-indol-2-yl)-3,3-dimethylbutan-1-one
CID 58192931
7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
CID 63117948
ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
CID 63118046
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-amino-1H-indole-2-carboxylate (CID 18550972) is methyl 7-amino-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-amino-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-amino-1H-indole-2-carboxylate is COC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of methyl 7-amino-1H-indole-2-carboxylate?
The InChIKey is NKYUGWBYVMTVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,11H2,1H3.
What are the key properties of methyl 7-amino-1H-indole-2-carboxylate?
methyl 7-amino-1H-indole-2-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 7-amino-1H-indole-2-carboxylate is sourced from PubChem (CID 18550972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).