2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile

C13H14N2O — CID 82492794

IUPAC2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
SMILESCOc1cc(C)cc2c(CC#N)c(C)[nH]c12
InChIInChI=1S/C13H14N2O/c1-8-6-11-10(4-5-14)9(2)15-13(11)12(7-8)16-3/h6-7,15H,4H2,1-3H3
InChIKeyWCELQEWCFSJEPE-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.86
Rot. Bonds2

About 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile

2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile (PubChem CID 82492794) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
PubChem CID82492794
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
SMILESCOc1cc(C)cc2c(CC#N)c(C)[nH]c12
InChIInChI=1S/C13H14N2O/c1-8-6-11-10(4-5-14)9(2)15-13(11)12(7-8)16-3/h6-7,15H,4H2,1-3H3
InChIKeyWCELQEWCFSJEPE-UHFFFAOYSA-N
XLogP2.86
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile 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

2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82496487
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 96675406
2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
CID 84800310
2-(6-chloro-8-methoxy-2,5-dimethyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82248573
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
CID 119002608
2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
CID 84741796
2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile
CID 22970446
2-(2-formyl-3-methoxy-5-methylphenyl)acetonitrile
CID 171022535
2-(2-chloro-3,5,6-trimethoxyphenyl)acetonitrile
CID 117356095

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile (CID 82492794) is 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile is COc1cc(C)cc2c(CC#N)c(C)[nH]c12.
What is the InChIKey of 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile?
The InChIKey is WCELQEWCFSJEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-6-11-10(4-5-14)9(2)15-13(11)12(7-8)16-3/h6-7,15H,4H2,1-3H3.
What are the key properties of 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile?
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 82492794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).