4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile

C19H23N — CID 144500663

IUPAC4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile
SMILESC/C=C\C(=C/C(CCC)=C(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C19H23N/c1-5-7-18(15(3)4)13-19(8-6-2)17-11-9-16(14-20)10-12-17/h6,8-13H,5,7H2,1-4H3/b8-6-,19-13+
InChIKeyRHYZSVNTCYVLKW-ZYJHPGJTSA-N
MW265.40 g/mol
LogP5.65
Rot. Bonds5

About 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile

4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile (PubChem CID 144500663) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile
PubChem CID144500663
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile
SMILESC/C=C\C(=C/C(CCC)=C(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C19H23N/c1-5-7-18(15(3)4)13-19(8-6-2)17-11-9-16(14-20)10-12-17/h6,8-13H,5,7H2,1-4H3/b8-6-,19-13+
InChIKeyRHYZSVNTCYVLKW-ZYJHPGJTSA-N
XLogP5.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-[(4E,6Z)-4-chloro-2,6-dimethylocta-2,4,6-trien-3-yl]benzonitrile
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4-[(Z)-hex-4-en-3-yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile?
The IUPAC name of 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile (CID 144500663) is 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile.
What is the SMILES notation for 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile?
The canonical SMILES for 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile is C/C=C\C(=C/C(CCC)=C(C)C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile?
The InChIKey is RHYZSVNTCYVLKW-ZYJHPGJTSA-N. The full InChI is InChI=1S/C19H23N/c1-5-7-18(15(3)4)13-19(8-6-2)17-11-9-16(14-20)10-12-17/h6,8-13H,5,7H2,1-4H3/b8-6-,19-13+.
What are the key properties of 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile?
4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile has a molecular weight of 265.40 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-6-propan-2-ylidenenona-2,4-dien-4-yl]benzonitrile is sourced from PubChem (CID 144500663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).