4-[(E)-pent-1-enyl]benzonitrile

C12H13N — CID 15363946

IUPAC4-[(E)-pent-1-enyl]benzonitrile
SMILESCCC/C=C/c1ccc(C#N)cc1
InChIInChI=1S/C12H13N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h4-9H,2-3H2,1H3/b5-4+
InChIKeyKNKAAQMICJLBGO-SNAWJCMRSA-N
MW171.24 g/mol
LogP3.37
Rot. Bonds3

About 4-[(E)-pent-1-enyl]benzonitrile

4-[(E)-pent-1-enyl]benzonitrile (PubChem CID 15363946) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-[(E)-pent-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-pent-1-enyl]benzonitrile
PubChem CID15363946
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name4-[(E)-pent-1-enyl]benzonitrile
SMILESCCC/C=C/c1ccc(C#N)cc1
InChIInChI=1S/C12H13N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h4-9H,2-3H2,1H3/b5-4+
InChIKeyKNKAAQMICJLBGO-SNAWJCMRSA-N
XLogP3.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
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1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene
CID 54400583
S-[4-(4-cyanophenyl)but-3-enyl] ethanethioate
CID 170479815
4-[(E)-pent-1-enyl]phenol
CID 15576502
6-(4-cyanophenyl)hex-5-enoic acid
CID 54023642
4-prop-1-enylbenzonitrile
CID 68719840
4-(2-ethylsulfanylethenyl)benzonitrile
CID 71427451
4-(2-ethoxyethenyl)benzonitrile
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ethane;[(E)-pent-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-1-enyl]benzonitrile?
The IUPAC name of 4-[(E)-pent-1-enyl]benzonitrile (CID 15363946) is 4-[(E)-pent-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(E)-pent-1-enyl]benzonitrile?
The canonical SMILES for 4-[(E)-pent-1-enyl]benzonitrile is CCC/C=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(E)-pent-1-enyl]benzonitrile?
The InChIKey is KNKAAQMICJLBGO-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H13N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h4-9H,2-3H2,1H3/b5-4+.
What are the key properties of 4-[(E)-pent-1-enyl]benzonitrile?
4-[(E)-pent-1-enyl]benzonitrile has a molecular weight of 171.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-1-enyl]benzonitrile is sourced from PubChem (CID 15363946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).