4-(1,4-oxazepan-4-yl)cyclohexan-1-one

C11H19NO2 — CID 59238698

IUPAC4-(1,4-oxazepan-4-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-11-4-2-10(3-5-11)12-6-1-8-14-9-7-12/h10H,1-9H2
InChIKeyHSGIVNPSHXDZNX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds1

About 4-(1,4-oxazepan-4-yl)cyclohexan-1-one

4-(1,4-oxazepan-4-yl)cyclohexan-1-one (PubChem CID 59238698) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(1,4-oxazepan-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,4-oxazepan-4-yl)cyclohexan-1-one
PubChem CID59238698
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(1,4-oxazepan-4-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-11-4-2-10(3-5-11)12-6-1-8-14-9-7-12/h10H,1-9H2
InChIKeyHSGIVNPSHXDZNX-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepan-4-yl)cyclohexan-1-one?
The IUPAC name of 4-(1,4-oxazepan-4-yl)cyclohexan-1-one (CID 59238698) is 4-(1,4-oxazepan-4-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1,4-oxazepan-4-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1,4-oxazepan-4-yl)cyclohexan-1-one is O=C1CCC(N2CCCOCC2)CC1.
What is the InChIKey of 4-(1,4-oxazepan-4-yl)cyclohexan-1-one?
The InChIKey is HSGIVNPSHXDZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-4-2-10(3-5-11)12-6-1-8-14-9-7-12/h10H,1-9H2.
What are the key properties of 4-(1,4-oxazepan-4-yl)cyclohexan-1-one?
4-(1,4-oxazepan-4-yl)cyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepan-4-yl)cyclohexan-1-one is sourced from PubChem (CID 59238698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).