1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile

C12H13NO — CID 43119027

IUPAC1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
SMILESCOc1ccc(C)cc1C1(C#N)CC1
InChIInChI=1S/C12H13NO/c1-9-3-4-11(14-2)10(7-9)12(8-13)5-6-12/h3-4,7H,5-6H2,1-2H3
InChIKeyQNOMICLUJXPMOZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.56
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile

1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 43119027) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID43119027
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
SMILESCOc1ccc(C)cc1C1(C#N)CC1
InChIInChI=1S/C12H13NO/c1-9-3-4-11(14-2)10(7-9)12(8-13)5-6-12/h3-4,7H,5-6H2,1-2H3
InChIKeyQNOMICLUJXPMOZ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
3-(1-cyanocyclobutyl)-4-methoxybenzamide
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1-(3-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carbonitrile
CID 84811736
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634
1-(2-hydroxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 131297017
1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
CID 62355607
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
1-(4-bromo-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carbonitrile
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2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonane-2-carbonitrile
CID 65006496

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile (CID 43119027) is 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile is COc1ccc(C)cc1C1(C#N)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is QNOMICLUJXPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-3-4-11(14-2)10(7-9)12(8-13)5-6-12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile?
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 43119027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).