3-methyl-1,3-oxazepan-4-one

C6H11NO2 — CID 15561483

IUPAC3-methyl-1,3-oxazepan-4-one
SMILESCN1COCCCC1=O
InChIInChI=1S/C6H11NO2/c1-7-5-9-4-2-3-6(7)8/h2-5H2,1H3
InChIKeyGJAJFQDNIRCBJD-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds

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

3-methyl-1,3-oxazepan-4-one (PubChem CID 15561483) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-methyl-1,3-oxazepan-4-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazepan-4-one
PubChem CID15561483
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-methyl-1,3-oxazepan-4-one
SMILESCN1COCCCC1=O
InChIInChI=1S/C6H11NO2/c1-7-5-9-4-2-3-6(7)8/h2-5H2,1H3
InChIKeyGJAJFQDNIRCBJD-UHFFFAOYSA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazepan-4-one?
The IUPAC name of 3-methyl-1,3-oxazepan-4-one (CID 15561483) is 3-methyl-1,3-oxazepan-4-one.
What is the SMILES notation for 3-methyl-1,3-oxazepan-4-one?
The canonical SMILES for 3-methyl-1,3-oxazepan-4-one is CN1COCCCC1=O.
What is the InChIKey of 3-methyl-1,3-oxazepan-4-one?
The InChIKey is GJAJFQDNIRCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-5-9-4-2-3-6(7)8/h2-5H2,1H3.
What are the key properties of 3-methyl-1,3-oxazepan-4-one?
3-methyl-1,3-oxazepan-4-one has a molecular weight of 129.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazepan-4-one is sourced from PubChem (CID 15561483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).