4-Hydroxycyclohexanecarbonitrile

C7H11NO — CID 12617272

IUPAC4-hydroxycyclohexane-1-carbonitrile
SMILESC1CC(CCC1C#N)O
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
LogP0.50
Rot. Bonds

About 4-Hydroxycyclohexanecarbonitrile

4-Hydroxycyclohexanecarbonitrile (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-Hydroxycyclohexanecarbonitrile
PubChem CID12617272
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-hydroxycyclohexane-1-carbonitrile
SMILESC1CC(CCC1C#N)O
InChIInChI=1S/C7H11NO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-4H2
InChIKeyWXWQWXGBEHIOBL-UHFFFAOYSA-N
XLogP0.50
TPSA44.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-Hydroxycyclohexanecarbonitrile?
The IUPAC name of 4-Hydroxycyclohexanecarbonitrile (CID 12617272) is 4-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for 4-Hydroxycyclohexanecarbonitrile?
The canonical SMILES for 4-Hydroxycyclohexanecarbonitrile is C1CC(CCC1C#N)O.
What is the InChIKey of 4-Hydroxycyclohexanecarbonitrile?
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-Hydroxycyclohexanecarbonitrile?
4-Hydroxycyclohexanecarbonitrile has a molecular weight of 125.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Hydroxycyclohexanecarbonitrile is sourced from PubChem (CID 12617272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).