2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile

C12H13NO — CID 58155388

IUPAC2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
SMILESCOc1ccc(C2(CC#N)CC2)cc1
InChIInChI=1S/C12H13NO/c1-14-11-4-2-10(3-5-11)12(6-7-12)8-9-13/h2-5H,6-8H2,1H3
InChIKeyZXFHFVWBZTUDLF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.64
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile

2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile (PubChem CID 58155388) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
PubChem CID58155388
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
SMILESCOc1ccc(C2(CC#N)CC2)cc1
InChIInChI=1S/C12H13NO/c1-14-11-4-2-10(3-5-11)12(6-7-12)8-9-13/h2-5H,6-8H2,1H3
InChIKeyZXFHFVWBZTUDLF-UHFFFAOYSA-N
XLogP2.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile (CID 58155388) is 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile is COc1ccc(C2(CC#N)CC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile?
The InChIKey is ZXFHFVWBZTUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-11-4-2-10(3-5-11)12(6-7-12)8-9-13/h2-5H,6-8H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile?
2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 58155388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).