3-methoxy-1,3-oxazepan-4-one

C6H11NO3 — CID 163797725

IUPAC3-methoxy-1,3-oxazepan-4-one
SMILESCON1COCCCC1=O
InChIInChI=1S/C6H11NO3/c1-9-7-5-10-4-2-3-6(7)8/h2-5H2,1H3
InChIKeyNCHBYCAXJVRUTN-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.14
Rot. Bonds1

About 3-methoxy-1,3-oxazepan-4-one

3-methoxy-1,3-oxazepan-4-one (PubChem CID 163797725) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-methoxy-1,3-oxazepan-4-one.

Molecular Properties

Compound Name3-methoxy-1,3-oxazepan-4-one
PubChem CID163797725
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-methoxy-1,3-oxazepan-4-one
SMILESCON1COCCCC1=O
InChIInChI=1S/C6H11NO3/c1-9-7-5-10-4-2-3-6(7)8/h2-5H2,1H3
InChIKeyNCHBYCAXJVRUTN-UHFFFAOYSA-N
XLogP0.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1,3-oxazepan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,3-oxazepan-4-one?
The IUPAC name of 3-methoxy-1,3-oxazepan-4-one (CID 163797725) is 3-methoxy-1,3-oxazepan-4-one.
What is the SMILES notation for 3-methoxy-1,3-oxazepan-4-one?
The canonical SMILES for 3-methoxy-1,3-oxazepan-4-one is CON1COCCCC1=O.
What is the InChIKey of 3-methoxy-1,3-oxazepan-4-one?
The InChIKey is NCHBYCAXJVRUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-7-5-10-4-2-3-6(7)8/h2-5H2,1H3.
What are the key properties of 3-methoxy-1,3-oxazepan-4-one?
3-methoxy-1,3-oxazepan-4-one has a molecular weight of 145.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,3-oxazepan-4-one is sourced from PubChem (CID 163797725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).