4-[(Z)-oct-1-enyl]benzonitrile

C15H19N — CID 10632395

IUPAC4-[(Z)-oct-1-enyl]benzonitrile
SMILESCCCCCC/C=C\c1ccc(C#N)cc1
InChIInChI=1S/C15H19N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h7-12H,2-6H2,1H3/b8-7-
InChIKeyGYFHYABSFDCCQM-FPLPWBNLSA-N
MW213.32 g/mol
LogP4.54
Rot. Bonds6

About 4-[(Z)-oct-1-enyl]benzonitrile

4-[(Z)-oct-1-enyl]benzonitrile (PubChem CID 10632395) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(Z)-oct-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-oct-1-enyl]benzonitrile
PubChem CID10632395
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-[(Z)-oct-1-enyl]benzonitrile
SMILESCCCCCC/C=C\c1ccc(C#N)cc1
InChIInChI=1S/C15H19N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h7-12H,2-6H2,1H3/b8-7-
InChIKeyGYFHYABSFDCCQM-FPLPWBNLSA-N
XLogP4.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-8-(4-cyanophenyl)oct-7-enoic acid
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1-bromo-4-[(E)-dec-1-enyl]benzene
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[(E)-octadec-1-enyl]benzene
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4-[(1E,3E)-4-(4-dodecylphenyl)buta-1,3-dienyl]benzonitrile
CID 101235338
1-decyl-4-hept-1-enylbenzene
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4-[(1E,3E)-4-(4-hexadecoxyphenyl)buta-1,3-dienyl]benzonitrile
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CID 101332752

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-oct-1-enyl]benzonitrile?
The IUPAC name of 4-[(Z)-oct-1-enyl]benzonitrile (CID 10632395) is 4-[(Z)-oct-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-oct-1-enyl]benzonitrile?
The canonical SMILES for 4-[(Z)-oct-1-enyl]benzonitrile is CCCCCC/C=C\c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-oct-1-enyl]benzonitrile?
The InChIKey is GYFHYABSFDCCQM-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H19N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h7-12H,2-6H2,1H3/b8-7-.
What are the key properties of 4-[(Z)-oct-1-enyl]benzonitrile?
4-[(Z)-oct-1-enyl]benzonitrile has a molecular weight of 213.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-oct-1-enyl]benzonitrile is sourced from PubChem (CID 10632395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).