1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile

C10H17NO — CID 18449571

IUPAC1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile
SMILESCC(C)(O)C1(C#N)CCCCC1
InChIInChI=1S/C10H17NO/c1-9(2,12)10(8-11)6-4-3-5-7-10/h12H,3-7H2,1-2H3
InChIKeyJGTYDEQLEFPWRH-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.23
Rot. Bonds1

About 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile

1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile (PubChem CID 18449571) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile
PubChem CID18449571
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile
SMILESCC(C)(O)C1(C#N)CCCCC1
InChIInChI=1S/C10H17NO/c1-9(2,12)10(8-11)6-4-3-5-7-10/h12H,3-7H2,1-2H3
InChIKeyJGTYDEQLEFPWRH-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile (CID 18449571) is 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile is CC(C)(O)C1(C#N)CCCCC1.
What is the InChIKey of 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is JGTYDEQLEFPWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2,12)10(8-11)6-4-3-5-7-10/h12H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile?
1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropan-2-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 18449571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).