3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile

C11H17NO2 — CID 79118405

IUPAC3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCCCC2)CCOC1
InChIInChI=1S/C11H17NO2/c12-8-10(6-7-14-9-10)11(13)4-2-1-3-5-11/h13H,1-7,9H2
InChIKeyJBORIIMCKJIDIB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.61
Rot. Bonds1

About 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile

3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile (PubChem CID 79118405) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
PubChem CID79118405
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
SMILESN#CC1(C2(O)CCCCC2)CCOC1
InChIInChI=1S/C11H17NO2/c12-8-10(6-7-14-9-10)11(13)4-2-1-3-5-11/h13H,1-7,9H2
InChIKeyJBORIIMCKJIDIB-UHFFFAOYSA-N
XLogP1.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile?
The IUPAC name of 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile (CID 79118405) is 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile is N#CC1(C2(O)CCCCC2)CCOC1.
What is the InChIKey of 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile?
The InChIKey is JBORIIMCKJIDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-8-10(6-7-14-9-10)11(13)4-2-1-3-5-11/h13H,1-7,9H2.
What are the key properties of 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile?
3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile has a molecular weight of 195.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile is sourced from PubChem (CID 79118405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).