4-morpholin-4-ylcyclohexan-1-one

C10H17NO2 — CID 56763830

IUPAC4-morpholin-4-ylcyclohexan-1-one
SMILESO=C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C10H17NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h9H,1-8H2
InChIKeyXQSZENOTKVEPEU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds1

About 4-morpholin-4-ylcyclohexan-1-one

4-morpholin-4-ylcyclohexan-1-one (PubChem CID 56763830) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexan-1-one
PubChem CID56763830
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-morpholin-4-ylcyclohexan-1-one
SMILESO=C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C10H17NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h9H,1-8H2
InChIKeyXQSZENOTKVEPEU-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexan-1-one?
The IUPAC name of 4-morpholin-4-ylcyclohexan-1-one (CID 56763830) is 4-morpholin-4-ylcyclohexan-1-one.
What is the SMILES notation for 4-morpholin-4-ylcyclohexan-1-one?
The canonical SMILES for 4-morpholin-4-ylcyclohexan-1-one is O=C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-ylcyclohexan-1-one?
The InChIKey is XQSZENOTKVEPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h9H,1-8H2.
What are the key properties of 4-morpholin-4-ylcyclohexan-1-one?
4-morpholin-4-ylcyclohexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohexan-1-one is sourced from PubChem (CID 56763830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).