6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one

C10H15NO3 — CID 67963875

IUPAC6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
SMILESCCC(C)C(=O)N1C(=O)C2COCC21
InChIInChI=1S/C10H15NO3/c1-3-6(2)9(12)11-8-5-14-4-7(8)10(11)13/h6-8H,3-5H2,1-2H3
InChIKeyVNOQDSFWBGSJPZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.42
Rot. Bonds2

About 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one

6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one (PubChem CID 67963875) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
PubChem CID67963875
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
SMILESCCC(C)C(=O)N1C(=O)C2COCC21
InChIInChI=1S/C10H15NO3/c1-3-6(2)9(12)11-8-5-14-4-7(8)10(11)13/h6-8H,3-5H2,1-2H3
InChIKeyVNOQDSFWBGSJPZ-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one (CID 67963875) is 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one is CCC(C)C(=O)N1C(=O)C2COCC21.
What is the InChIKey of 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is VNOQDSFWBGSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-6(2)9(12)11-8-5-14-4-7(8)10(11)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 197.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 67963875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).