2-ethyl-5-methoxy-1H-indole-3-carbonitrile

C12H12N2O — CID 84669470

IUPAC2-ethyl-5-methoxy-1H-indole-3-carbonitrile
SMILESCCc1[nH]c2ccc(OC)cc2c1C#N
InChIInChI=1S/C12H12N2O/c1-3-11-10(7-13)9-6-8(15-2)4-5-12(9)14-11/h4-6,14H,3H2,1-2H3
InChIKeyXVXSQNFZGZTZIU-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.61
Rot. Bonds2

About 2-ethyl-5-methoxy-1H-indole-3-carbonitrile

2-ethyl-5-methoxy-1H-indole-3-carbonitrile (PubChem CID 84669470) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-ethyl-5-methoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-methoxy-1H-indole-3-carbonitrile
PubChem CID84669470
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-ethyl-5-methoxy-1H-indole-3-carbonitrile
SMILESCCc1[nH]c2ccc(OC)cc2c1C#N
InChIInChI=1S/C12H12N2O/c1-3-11-10(7-13)9-6-8(15-2)4-5-12(9)14-11/h4-6,14H,3H2,1-2H3
InChIKeyXVXSQNFZGZTZIU-UHFFFAOYSA-N
XLogP2.61
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-methoxy-1H-indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methoxy-1H-indole-3-carbonitrile?
The IUPAC name of 2-ethyl-5-methoxy-1H-indole-3-carbonitrile (CID 84669470) is 2-ethyl-5-methoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-ethyl-5-methoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 2-ethyl-5-methoxy-1H-indole-3-carbonitrile is CCc1[nH]c2ccc(OC)cc2c1C#N.
What is the InChIKey of 2-ethyl-5-methoxy-1H-indole-3-carbonitrile?
The InChIKey is XVXSQNFZGZTZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-3-11-10(7-13)9-6-8(15-2)4-5-12(9)14-11/h4-6,14H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methoxy-1H-indole-3-carbonitrile?
2-ethyl-5-methoxy-1H-indole-3-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 84669470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).