2-(4-cyclopropyloxyphenyl)acetonitrile

C11H11NO — CID 84766439

IUPAC2-(4-cyclopropyloxyphenyl)acetonitrile
SMILESN#CCc1ccc(OC2CC2)cc1
InChIInChI=1S/C11H11NO/c12-8-7-9-1-3-10(4-2-9)13-11-5-6-11/h1-4,11H,5-7H2
InChIKeyLGONFIQXXMRRKB-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-cyclopropyloxyphenyl)acetonitrile

2-(4-cyclopropyloxyphenyl)acetonitrile (PubChem CID 84766439) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-cyclopropyloxyphenyl)acetonitrile
PubChem CID84766439
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-(4-cyclopropyloxyphenyl)acetonitrile
SMILESN#CCc1ccc(OC2CC2)cc1
InChIInChI=1S/C11H11NO/c12-8-7-9-1-3-10(4-2-9)13-11-5-6-11/h1-4,11H,5-7H2
InChIKeyLGONFIQXXMRRKB-UHFFFAOYSA-N
XLogP2.29
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)acetonitrile?
The IUPAC name of 2-(4-cyclopropyloxyphenyl)acetonitrile (CID 84766439) is 2-(4-cyclopropyloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-cyclopropyloxyphenyl)acetonitrile is N#CCc1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropyloxyphenyl)acetonitrile?
The InChIKey is LGONFIQXXMRRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-8-7-9-1-3-10(4-2-9)13-11-5-6-11/h1-4,11H,5-7H2.
What are the key properties of 2-(4-cyclopropyloxyphenyl)acetonitrile?
2-(4-cyclopropyloxyphenyl)acetonitrile has a molecular weight of 173.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxyphenyl)acetonitrile is sourced from PubChem (CID 84766439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).