4-prop-1-enylbenzonitrile

C10H9N — CID 68719840

IUPAC4-prop-1-enylbenzonitrile
SMILESCC=Cc1ccc(C#N)cc1
InChIInChI=1S/C10H9N/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H,1H3
InChIKeyDTFJDKQVJTWWAB-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.59
Rot. Bonds1

About 4-prop-1-enylbenzonitrile

4-prop-1-enylbenzonitrile (PubChem CID 68719840) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-prop-1-enylbenzonitrile.

Molecular Properties

Compound Name4-prop-1-enylbenzonitrile
PubChem CID68719840
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4-prop-1-enylbenzonitrile
SMILESCC=Cc1ccc(C#N)cc1
InChIInChI=1S/C10H9N/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H,1H3
InChIKeyDTFJDKQVJTWWAB-UHFFFAOYSA-N
XLogP2.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enylbenzonitrile?
The IUPAC name of 4-prop-1-enylbenzonitrile (CID 68719840) is 4-prop-1-enylbenzonitrile.
What is the SMILES notation for 4-prop-1-enylbenzonitrile?
The canonical SMILES for 4-prop-1-enylbenzonitrile is CC=Cc1ccc(C#N)cc1.
What is the InChIKey of 4-prop-1-enylbenzonitrile?
The InChIKey is DTFJDKQVJTWWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H,1H3.
What are the key properties of 4-prop-1-enylbenzonitrile?
4-prop-1-enylbenzonitrile has a molecular weight of 143.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enylbenzonitrile is sourced from PubChem (CID 68719840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).