(Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile

C18H18N2 — CID 57342372

IUPAC(Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile
SMILESCN(C)Cc1ccc(/C=C(\C#N)c2ccccc2)cc1
InChIInChI=1S/C18H18N2/c1-20(2)14-16-10-8-15(9-11-16)12-18(13-19)17-6-4-3-5-7-17/h3-12H,14H2,1-2H3/b18-12+
InChIKeyWZAHJBIVMOTJKJ-LDADJPATSA-N
MW262.36 g/mol
LogP3.81
Rot. Bonds4

About (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile

(Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile (PubChem CID 57342372) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile
PubChem CID57342372
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile
SMILESCN(C)Cc1ccc(/C=C(\C#N)c2ccccc2)cc1
InChIInChI=1S/C18H18N2/c1-20(2)14-16-10-8-15(9-11-16)12-18(13-19)17-6-4-3-5-7-17/h3-12H,14H2,1-2H3/b18-12+
InChIKeyWZAHJBIVMOTJKJ-LDADJPATSA-N
XLogP3.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile (CID 57342372) is (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile is CN(C)Cc1ccc(/C=C(\C#N)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile?
The InChIKey is WZAHJBIVMOTJKJ-LDADJPATSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(2)14-16-10-8-15(9-11-16)12-18(13-19)17-6-4-3-5-7-17/h3-12H,14H2,1-2H3/b18-12+.
What are the key properties of (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile?
(Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile has a molecular weight of 262.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 57342372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).