(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile

C20H15N — CID 118675612

IUPAC(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESCc1ccccc1/C=C(\C#N)c1ccc2ccccc2c1
InChIInChI=1S/C20H15N/c1-15-6-2-3-8-17(15)12-20(14-21)19-11-10-16-7-4-5-9-18(16)13-19/h2-13H,1H3/b20-12+
InChIKeySWVWJEJZKUMGTL-UDWIEESQSA-N
MW269.35 g/mol
LogP5.21
Rot. Bonds2

About (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile

(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile (PubChem CID 118675612) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
PubChem CID118675612
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESCc1ccccc1/C=C(\C#N)c1ccc2ccccc2c1
InChIInChI=1S/C20H15N/c1-15-6-2-3-8-17(15)12-20(14-21)19-11-10-16-7-4-5-9-18(16)13-19/h2-13H,1H3/b20-12+
InChIKeySWVWJEJZKUMGTL-UDWIEESQSA-N
XLogP5.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile (CID 118675612) is (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile is Cc1ccccc1/C=C(\C#N)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
The InChIKey is SWVWJEJZKUMGTL-UDWIEESQSA-N. The full InChI is InChI=1S/C20H15N/c1-15-6-2-3-8-17(15)12-20(14-21)19-11-10-16-7-4-5-9-18(16)13-19/h2-13H,1H3/b20-12+.
What are the key properties of (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile?
(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile has a molecular weight of 269.35 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile is sourced from PubChem (CID 118675612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).