(E)-2-cyclopropyl-4-phenylbut-3-enenitrile

C13H13N — CID 102130816

IUPAC(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
SMILESN#CC(/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C13H13N/c14-10-13(12-8-9-12)7-6-11-4-2-1-3-5-11/h1-7,12-13H,8-9H2/b7-6+
InChIKeyYTLSEGNIFJYPHG-VOTSOKGWSA-N
MW183.25 g/mol
LogP3.25
Rot. Bonds3

About (E)-2-cyclopropyl-4-phenylbut-3-enenitrile

(E)-2-cyclopropyl-4-phenylbut-3-enenitrile (PubChem CID 102130816) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-2-cyclopropyl-4-phenylbut-3-enenitrile.

Molecular Properties

Compound Name(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
PubChem CID102130816
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
SMILESN#CC(/C=C/c1ccccc1)C1CC1
InChIInChI=1S/C13H13N/c14-10-13(12-8-9-12)7-6-11-4-2-1-3-5-11/h1-7,12-13H,8-9H2/b7-6+
InChIKeyYTLSEGNIFJYPHG-VOTSOKGWSA-N
XLogP3.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-phenylethenyl]pentanenitrile
CID 102025901
2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319
(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
CID 11593933
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
2-(N-methylanilino)-4-phenylbut-3-enenitrile
CID 71339766
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
3-phenylprop-2-ene-1,1-diol
CID 54432533
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
CID 121008435
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
3-phenyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-ol
CID 175283380
2-chloro-3-oxo-5-phenylpent-4-enenitrile
CID 176654493

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclopropyl-4-phenylbut-3-enenitrile?
The IUPAC name of (E)-2-cyclopropyl-4-phenylbut-3-enenitrile (CID 102130816) is (E)-2-cyclopropyl-4-phenylbut-3-enenitrile.
What is the SMILES notation for (E)-2-cyclopropyl-4-phenylbut-3-enenitrile?
The canonical SMILES for (E)-2-cyclopropyl-4-phenylbut-3-enenitrile is N#CC(/C=C/c1ccccc1)C1CC1.
What is the InChIKey of (E)-2-cyclopropyl-4-phenylbut-3-enenitrile?
The InChIKey is YTLSEGNIFJYPHG-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H13N/c14-10-13(12-8-9-12)7-6-11-4-2-1-3-5-11/h1-7,12-13H,8-9H2/b7-6+.
What are the key properties of (E)-2-cyclopropyl-4-phenylbut-3-enenitrile?
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile has a molecular weight of 183.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclopropyl-4-phenylbut-3-enenitrile is sourced from PubChem (CID 102130816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).