(Z)-5-phenylpent-3-enenitrile

C11H11N — CID 102025898

IUPAC(Z)-5-phenylpent-3-enenitrile
SMILESN#CC/C=C\Cc1ccccc1
InChIInChI=1S/C11H11N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-8H,6,9H2/b5-2-
InChIKeyOJIXCQJDOKMYMZ-DJWKRKHSSA-N
MW157.22 g/mol
LogP2.70
Rot. Bonds3

About (Z)-5-phenylpent-3-enenitrile

(Z)-5-phenylpent-3-enenitrile (PubChem CID 102025898) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is (Z)-5-phenylpent-3-enenitrile.

Molecular Properties

Compound Name(Z)-5-phenylpent-3-enenitrile
PubChem CID102025898
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name(Z)-5-phenylpent-3-enenitrile
SMILESN#CC/C=C\Cc1ccccc1
InChIInChI=1S/C11H11N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-8H,6,9H2/b5-2-
InChIKeyOJIXCQJDOKMYMZ-DJWKRKHSSA-N
XLogP2.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-phenylhex-4-enenitrile
CID 14381063
2-methyl-2-[(E)-4-phenylbut-2-enyl]propanedinitrile
CID 14925254
4-phenylbut-2-ene-1-thiol
CID 54126363
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
5-chloropent-2-enylbenzene
CID 79603176
O-[(E)-4-phenylbut-2-enyl]hydroxylamine
CID 14647066
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
CID 173481561
CID 173481561

Frequently Asked Questions

What is the IUPAC name of (Z)-5-phenylpent-3-enenitrile?
The IUPAC name of (Z)-5-phenylpent-3-enenitrile (CID 102025898) is (Z)-5-phenylpent-3-enenitrile.
What is the SMILES notation for (Z)-5-phenylpent-3-enenitrile?
The canonical SMILES for (Z)-5-phenylpent-3-enenitrile is N#CC/C=C\Cc1ccccc1.
What is the InChIKey of (Z)-5-phenylpent-3-enenitrile?
The InChIKey is OJIXCQJDOKMYMZ-DJWKRKHSSA-N. The full InChI is InChI=1S/C11H11N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-8H,6,9H2/b5-2-.
What are the key properties of (Z)-5-phenylpent-3-enenitrile?
(Z)-5-phenylpent-3-enenitrile has a molecular weight of 157.22 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-phenylpent-3-enenitrile is sourced from PubChem (CID 102025898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).