4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile

C13H13N — CID 150509370

IUPAC4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
SMILESN#Cc1ccc(/C=C/CC2CC2)cc1
InChIInChI=1S/C13H13N/c14-10-13-8-6-12(7-9-13)3-1-2-11-4-5-11/h1,3,6-9,11H,2,4-5H2/b3-1+
InChIKeyHZMWPZBVPDZYBZ-HNQUOIGGSA-N
MW183.25 g/mol
LogP3.37
Rot. Bonds3

About 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile

4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile (PubChem CID 150509370) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
PubChem CID150509370
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile
SMILESN#Cc1ccc(/C=C/CC2CC2)cc1
InChIInChI=1S/C13H13N/c14-10-13-8-6-12(7-9-13)3-1-2-11-4-5-11/h1,3,6-9,11H,2,4-5H2/b3-1+
InChIKeyHZMWPZBVPDZYBZ-HNQUOIGGSA-N
XLogP3.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile?
The IUPAC name of 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile (CID 150509370) is 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile?
The canonical SMILES for 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile is N#Cc1ccc(/C=C/CC2CC2)cc1.
What is the InChIKey of 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile?
The InChIKey is HZMWPZBVPDZYBZ-HNQUOIGGSA-N. The full InChI is InChI=1S/C13H13N/c14-10-13-8-6-12(7-9-13)3-1-2-11-4-5-11/h1,3,6-9,11H,2,4-5H2/b3-1+.
What are the key properties of 4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile?
4-[(E)-3-cyclopropylprop-1-enyl]benzonitrile has a molecular weight of 183.25 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)-3-cyclopropylprop-1-enyl]benzonitrile is sourced from PubChem (CID 150509370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).