6-methyl-1,4-oxazepane

C6H13NO — CID 58057944

IUPAC6-methyl-1,4-oxazepane
SMILESCC1CNCCOC1
InChIInChI=1S/C6H13NO/c1-6-4-7-2-3-8-5-6/h6-7H,2-5H2,1H3
InChIKeyDYHXKPISQYRSST-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.24
Rot. Bonds

About 6-methyl-1,4-oxazepane

6-methyl-1,4-oxazepane (PubChem CID 58057944) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name6-methyl-1,4-oxazepane
PubChem CID58057944
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name6-methyl-1,4-oxazepane
SMILESCC1CNCCOC1
InChIInChI=1S/C6H13NO/c1-6-4-7-2-3-8-5-6/h6-7H,2-5H2,1H3
InChIKeyDYHXKPISQYRSST-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1,4-oxazepane 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 6-methyl-1,4-oxazepane?
The IUPAC name of 6-methyl-1,4-oxazepane (CID 58057944) is 6-methyl-1,4-oxazepane.
What is the SMILES notation for 6-methyl-1,4-oxazepane?
The canonical SMILES for 6-methyl-1,4-oxazepane is CC1CNCCOC1.
What is the InChIKey of 6-methyl-1,4-oxazepane?
The InChIKey is DYHXKPISQYRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-4-7-2-3-8-5-6/h6-7H,2-5H2,1H3.
What are the key properties of 6-methyl-1,4-oxazepane?
6-methyl-1,4-oxazepane has a molecular weight of 115.18 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-oxazepane is sourced from PubChem (CID 58057944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).