2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile

C14H17NO — CID 116841843

IUPAC2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile
SMILESCC(C)Oc1ccc(C2(C)CC2C#N)cc1
InChIInChI=1S/C14H17NO/c1-10(2)16-13-6-4-11(5-7-13)14(3)8-12(14)9-15/h4-7,10,12H,8H2,1-3H3
InChIKeyJDIQGGSSJWVAQR-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile

2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 116841843) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile
PubChem CID116841843
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile
SMILESCC(C)Oc1ccc(C2(C)CC2C#N)cc1
InChIInChI=1S/C14H17NO/c1-10(2)16-13-6-4-11(5-7-13)14(3)8-12(14)9-15/h4-7,10,12H,8H2,1-3H3
InChIKeyJDIQGGSSJWVAQR-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile (CID 116841843) is 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile is CC(C)Oc1ccc(C2(C)CC2C#N)cc1.
What is the InChIKey of 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is JDIQGGSSJWVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)16-13-6-4-11(5-7-13)14(3)8-12(14)9-15/h4-7,10,12H,8H2,1-3H3.
What are the key properties of 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile?
2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-yloxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116841843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).