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

C14H17NO — CID 116837097

IUPAC1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCC(C)Oc1ccc(CC2(C#N)CC2)cc1
InChIInChI=1S/C14H17NO/c1-11(2)16-13-5-3-12(4-6-13)9-14(10-15)7-8-14/h3-6,11H,7-9H2,1-2H3
InChIKeyKJCUYLQVBFEUGH-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.32
Rot. Bonds4

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

1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116837097) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID116837097
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCC(C)Oc1ccc(CC2(C#N)CC2)cc1
InChIInChI=1S/C14H17NO/c1-11(2)16-13-5-3-12(4-6-13)9-14(10-15)7-8-14/h3-6,11H,7-9H2,1-2H3
InChIKeyKJCUYLQVBFEUGH-UHFFFAOYSA-N
XLogP3.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropane-1-carbonitrile
CID 116837060
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971
1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
CID 117034789
1-[(4-iodophenyl)methyl]cyclopentane-1-carbonitrile
CID 65490985
1-[(4-amino-3-sulfanylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116998439
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
CID 80602331
2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930111
1-[(3-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65389386
4-[(4-bromophenyl)methyl]oxane-4-carbonitrile
CID 65394794

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile (CID 116837097) is 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile is CC(C)Oc1ccc(CC2(C#N)CC2)cc1.
What is the InChIKey of 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is KJCUYLQVBFEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)16-13-5-3-12(4-6-13)9-14(10-15)7-8-14/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile?
1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).