4-(2-phenylprop-2-enylamino)benzonitrile

C16H14N2 — CID 113288086

IUPAC4-(2-phenylprop-2-enylamino)benzonitrile
SMILESC=C(CNc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C16H14N2/c1-13(15-5-3-2-4-6-15)12-18-16-9-7-14(11-17)8-10-16/h2-10,18H,1,12H2
InChIKeyKUQVSCNNOMXJTD-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.68
Rot. Bonds4

About 4-(2-phenylprop-2-enylamino)benzonitrile

4-(2-phenylprop-2-enylamino)benzonitrile (PubChem CID 113288086) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-phenylprop-2-enylamino)benzonitrile.

Molecular Properties

Compound Name4-(2-phenylprop-2-enylamino)benzonitrile
PubChem CID113288086
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-(2-phenylprop-2-enylamino)benzonitrile
SMILESC=C(CNc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C16H14N2/c1-13(15-5-3-2-4-6-15)12-18-16-9-7-14(11-17)8-10-16/h2-10,18H,1,12H2
InChIKeyKUQVSCNNOMXJTD-UHFFFAOYSA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyanoanilino)methyl]prop-2-enoic acid
CID 103235627
4-[(3-oxo-3-phenylpropyl)amino]benzonitrile
CID 94268936
4-(1-phenylethenyl)benzonitrile
CID 11977035
3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 113288075
4-[5-(4-cyanophenyl)hexa-1,5-dien-2-yl]benzonitrile
CID 122403774
4-(anilinomethyl)benzonitrile
CID 11148468
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
4-(3-bromoprop-1-en-2-yl)benzonitrile
CID 130210199
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
4-(4-cyanophenyl)pent-4-enoic acid
CID 102579433
4-(2-phenylprop-2-enoyl)benzonitrile
CID 66619390

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylprop-2-enylamino)benzonitrile?
The IUPAC name of 4-(2-phenylprop-2-enylamino)benzonitrile (CID 113288086) is 4-(2-phenylprop-2-enylamino)benzonitrile.
What is the SMILES notation for 4-(2-phenylprop-2-enylamino)benzonitrile?
The canonical SMILES for 4-(2-phenylprop-2-enylamino)benzonitrile is C=C(CNc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-(2-phenylprop-2-enylamino)benzonitrile?
The InChIKey is KUQVSCNNOMXJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-13(15-5-3-2-4-6-15)12-18-16-9-7-14(11-17)8-10-16/h2-10,18H,1,12H2.
What are the key properties of 4-(2-phenylprop-2-enylamino)benzonitrile?
4-(2-phenylprop-2-enylamino)benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylprop-2-enylamino)benzonitrile is sourced from PubChem (CID 113288086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).