3-cyclohexylpyran-2-one

C11H14O2 — CID 22113977

IUPAC3-cyclohexylpyran-2-one
SMILESO=c1occcc1C1CCCCC1
InChIInChI=1S/C11H14O2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyDKVHWIBXWGLNOX-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.69
Rot. Bonds1

About 3-cyclohexylpyran-2-one

3-cyclohexylpyran-2-one (PubChem CID 22113977) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-cyclohexylpyran-2-one.

Molecular Properties

Compound Name3-cyclohexylpyran-2-one
PubChem CID22113977
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-cyclohexylpyran-2-one
SMILESO=c1occcc1C1CCCCC1
InChIInChI=1S/C11H14O2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyDKVHWIBXWGLNOX-UHFFFAOYSA-N
XLogP2.69
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpyran-2-one?
The IUPAC name of 3-cyclohexylpyran-2-one (CID 22113977) is 3-cyclohexylpyran-2-one.
What is the SMILES notation for 3-cyclohexylpyran-2-one?
The canonical SMILES for 3-cyclohexylpyran-2-one is O=c1occcc1C1CCCCC1.
What is the InChIKey of 3-cyclohexylpyran-2-one?
The InChIKey is DKVHWIBXWGLNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 3-cyclohexylpyran-2-one?
3-cyclohexylpyran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpyran-2-one is sourced from PubChem (CID 22113977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).