3-methyl-1,3-oxazocan-4-one

C7H13NO2 — CID 178099601

IUPAC3-methyl-1,3-oxazocan-4-one
SMILESCN1COCCCCC1=O
InChIInChI=1S/C7H13NO2/c1-8-6-10-5-3-2-4-7(8)9/h2-6H2,1H3
InChIKeyBIDGUJMLNKOFNC-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds

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

3-methyl-1,3-oxazocan-4-one (PubChem CID 178099601) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methyl-1,3-oxazocan-4-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazocan-4-one
PubChem CID178099601
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-methyl-1,3-oxazocan-4-one
SMILESCN1COCCCCC1=O
InChIInChI=1S/C7H13NO2/c1-8-6-10-5-3-2-4-7(8)9/h2-6H2,1H3
InChIKeyBIDGUJMLNKOFNC-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
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-oxazocan-4-one?
The IUPAC name of 3-methyl-1,3-oxazocan-4-one (CID 178099601) is 3-methyl-1,3-oxazocan-4-one.
What is the SMILES notation for 3-methyl-1,3-oxazocan-4-one?
The canonical SMILES for 3-methyl-1,3-oxazocan-4-one is CN1COCCCCC1=O.
What is the InChIKey of 3-methyl-1,3-oxazocan-4-one?
The InChIKey is BIDGUJMLNKOFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-6-10-5-3-2-4-7(8)9/h2-6H2,1H3.
What are the key properties of 3-methyl-1,3-oxazocan-4-one?
3-methyl-1,3-oxazocan-4-one has a molecular weight of 143.19 g/mol, XLogP of 0.60, 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-oxazocan-4-one is sourced from PubChem (CID 178099601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).