4-hydroxycyclohexane-1-carbonitrile

C7H11NO — CID 12617272

IUPAC4-hydroxycyclohexane-1-carbonitrile
SMILESN#CC1CCC(O)CC1
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-4H2
InChIKeyWXWQWXGBEHIOBL-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds

About 4-hydroxycyclohexane-1-carbonitrile

4-hydroxycyclohexane-1-carbonitrile (PubChem CID 12617272) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-hydroxycyclohexane-1-carbonitrile
PubChem CID12617272
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-hydroxycyclohexane-1-carbonitrile
SMILESN#CC1CCC(O)CC1
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-4H2
InChIKeyWXWQWXGBEHIOBL-UHFFFAOYSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexane-1-carbonitrile?
The IUPAC name of 4-hydroxycyclohexane-1-carbonitrile (CID 12617272) is 4-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for 4-hydroxycyclohexane-1-carbonitrile?
The canonical SMILES for 4-hydroxycyclohexane-1-carbonitrile is N#CC1CCC(O)CC1.
What is the InChIKey of 4-hydroxycyclohexane-1-carbonitrile?
The InChIKey is WXWQWXGBEHIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-4H2.
What are the key properties of 4-hydroxycyclohexane-1-carbonitrile?
4-hydroxycyclohexane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 12617272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).