4-cyclopropylbenzonitrile

C10H9N — CID 11332535

IUPAC4-cyclopropylbenzonitrile
SMILESN#Cc1ccc(C2CC2)cc1
InChIInChI=1S/C10H9N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-6H2
InChIKeyHJWMALLDRPONGB-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.44
Rot. Bonds1

About 4-cyclopropylbenzonitrile

4-cyclopropylbenzonitrile (PubChem CID 11332535) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-cyclopropylbenzonitrile.

Molecular Properties

Compound Name4-cyclopropylbenzonitrile
PubChem CID11332535
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4-cyclopropylbenzonitrile
SMILESN#Cc1ccc(C2CC2)cc1
InChIInChI=1S/C10H9N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-6H2
InChIKeyHJWMALLDRPONGB-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylbenzonitrile?
The IUPAC name of 4-cyclopropylbenzonitrile (CID 11332535) is 4-cyclopropylbenzonitrile.
What is the SMILES notation for 4-cyclopropylbenzonitrile?
The canonical SMILES for 4-cyclopropylbenzonitrile is N#Cc1ccc(C2CC2)cc1.
What is the InChIKey of 4-cyclopropylbenzonitrile?
The InChIKey is HJWMALLDRPONGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-6H2.
What are the key properties of 4-cyclopropylbenzonitrile?
4-cyclopropylbenzonitrile has a molecular weight of 143.19 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylbenzonitrile is sourced from PubChem (CID 11332535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).