(2Z,4E)-5-phenylpenta-2,4-dienenitrile

C11H9N — CID 11715210

IUPAC(2Z,4E)-5-phenylpenta-2,4-dienenitrile
SMILESN#C/C=C\C=C\c1ccccc1
InChIInChI=1S/C11H9N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-9H/b6-2-,9-5+
InChIKeyJDCCCHBBXRQRGU-JJCLXCMFSA-N
MW155.20 g/mol
LogP2.78
Rot. Bonds2

About (2Z,4E)-5-phenylpenta-2,4-dienenitrile

(2Z,4E)-5-phenylpenta-2,4-dienenitrile (PubChem CID 11715210) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is (2Z,4E)-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-5-phenylpenta-2,4-dienenitrile
PubChem CID11715210
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC Name(2Z,4E)-5-phenylpenta-2,4-dienenitrile
SMILESN#C/C=C\C=C\c1ccccc1
InChIInChI=1S/C11H9N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-9H/b6-2-,9-5+
InChIKeyJDCCCHBBXRQRGU-JJCLXCMFSA-N
XLogP2.78
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-2-ene;5-phenylpenta-2,4-dienenitrile
CID 158887815
5-phenylpenta-2,4-dienenitrile;2-prop-1-enylbenzonitrile
CID 158613192
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
buta-1,3-diene;methyl prop-2-enoate;5-phenylpenta-2,4-dienenitrile
CID 159572196
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
furan-2,5-dione;5-phenylpenta-2,4-dienenitrile;1-phenylpyrrole-2,5-dione
CID 161142111
(2E,4E)-5-(4-nitrophenyl)penta-2,4-dienenitrile
CID 15061744
2-butoxyethenylbenzene;5-(4-hydroxyphenyl)penta-2,4-dienenitrile
CID 173070721
2-(7-phenylhepta-2,4,6-trienylidene)propanedinitrile
CID 575621
(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 21439549
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-5-phenylpenta-2,4-dienenitrile (CID 11715210) is (2Z,4E)-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-5-phenylpenta-2,4-dienenitrile is N#C/C=C\C=C\c1ccccc1.
What is the InChIKey of (2Z,4E)-5-phenylpenta-2,4-dienenitrile?
The InChIKey is JDCCCHBBXRQRGU-JJCLXCMFSA-N. The full InChI is InChI=1S/C11H9N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-9H/b6-2-,9-5+.
What are the key properties of (2Z,4E)-5-phenylpenta-2,4-dienenitrile?
(2Z,4E)-5-phenylpenta-2,4-dienenitrile has a molecular weight of 155.20 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 11715210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).