2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile

C17H14N2O — CID 21432563

IUPAC2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile
SMILESCOc1ccc(-c2cc3cc(C#N)ccc3n2C)cc1
InChIInChI=1S/C17H14N2O/c1-19-16-8-3-12(11-18)9-14(16)10-17(19)13-4-6-15(20-2)7-5-13/h3-10H,1-2H3
InChIKeyJCPBXNUXOUPHDP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.73
Rot. Bonds2

About 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile

2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile (PubChem CID 21432563) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile
PubChem CID21432563
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile
SMILESCOc1ccc(-c2cc3cc(C#N)ccc3n2C)cc1
InChIInChI=1S/C17H14N2O/c1-19-16-8-3-12(11-18)9-14(16)10-17(19)13-4-6-15(20-2)7-5-13/h3-10H,1-2H3
InChIKeyJCPBXNUXOUPHDP-UHFFFAOYSA-N
XLogP3.73
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile (CID 21432563) is 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile is COc1ccc(-c2cc3cc(C#N)ccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile?
The InChIKey is JCPBXNUXOUPHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-16-8-3-12(11-18)9-14(16)10-17(19)13-4-6-15(20-2)7-5-13/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile?
2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile is sourced from PubChem (CID 21432563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).