7-amino-4-methyl-1H-indole-3-carbonitrile

C10H9N3 — CID 11715247

IUPAC7-amino-4-methyl-1H-indole-3-carbonitrile
SMILESCc1ccc(N)c2[nH]cc(C#N)c12
InChIInChI=1S/C10H9N3/c1-6-2-3-8(12)10-9(6)7(4-11)5-13-10/h2-3,5,13H,12H2,1H3
InChIKeySHVBJIBHAKCNMY-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.93
Rot. Bonds

About 7-amino-4-methyl-1H-indole-3-carbonitrile

7-amino-4-methyl-1H-indole-3-carbonitrile (PubChem CID 11715247) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 7-amino-4-methyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-amino-4-methyl-1H-indole-3-carbonitrile
PubChem CID11715247
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name7-amino-4-methyl-1H-indole-3-carbonitrile
SMILESCc1ccc(N)c2[nH]cc(C#N)c12
InChIInChI=1S/C10H9N3/c1-6-2-3-8(12)10-9(6)7(4-11)5-13-10/h2-3,5,13H,12H2,1H3
InChIKeySHVBJIBHAKCNMY-UHFFFAOYSA-N
XLogP1.93
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methyl-1H-indole-3-carbonitrile?
The IUPAC name of 7-amino-4-methyl-1H-indole-3-carbonitrile (CID 11715247) is 7-amino-4-methyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-amino-4-methyl-1H-indole-3-carbonitrile?
The canonical SMILES for 7-amino-4-methyl-1H-indole-3-carbonitrile is Cc1ccc(N)c2[nH]cc(C#N)c12.
What is the InChIKey of 7-amino-4-methyl-1H-indole-3-carbonitrile?
The InChIKey is SHVBJIBHAKCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-6-2-3-8(12)10-9(6)7(4-11)5-13-10/h2-3,5,13H,12H2,1H3.
What are the key properties of 7-amino-4-methyl-1H-indole-3-carbonitrile?
7-amino-4-methyl-1H-indole-3-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 11715247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).