2-(4-methoxyphenyl)cyclobutane-1-carbonitrile

C12H13NO — CID 172635786

IUPAC2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
SMILESCOc1ccc(C2CCC2C#N)cc1
InChIInChI=1S/C12H13NO/c1-14-11-5-2-9(3-6-11)12-7-4-10(12)8-13/h2-3,5-6,10,12H,4,7H2,1H3
InChIKeyXOMOPMQWSCATBG-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.71
Rot. Bonds2

About 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile

2-(4-methoxyphenyl)cyclobutane-1-carbonitrile (PubChem CID 172635786) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
PubChem CID172635786
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
SMILESCOc1ccc(C2CCC2C#N)cc1
InChIInChI=1S/C12H13NO/c1-14-11-5-2-9(3-6-11)12-7-4-10(12)8-13/h2-3,5-6,10,12H,4,7H2,1H3
InChIKeyXOMOPMQWSCATBG-UHFFFAOYSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile
CID 136571570
2-[3-cyano-6-(4-methoxyphenyl)-2-oxocyclohexyl]acetic acid
CID 70200554
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
(1S,2R,3S,4R)-3-(4-methoxyphenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
CID 10752503
2-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane
CID 115030238
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
CID 62962017
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 102473074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile (CID 172635786) is 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile is COc1ccc(C2CCC2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile?
The InChIKey is XOMOPMQWSCATBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-11-5-2-9(3-6-11)12-7-4-10(12)8-13/h2-3,5-6,10,12H,4,7H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile?
2-(4-methoxyphenyl)cyclobutane-1-carbonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 172635786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).