6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one

C8H9NO3 — CID 67963785

IUPAC6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
SMILESC=CC(=O)N1C(=O)C2COCC21
InChIInChI=1S/C8H9NO3/c1-2-7(10)9-6-4-12-3-5(6)8(9)11/h2,5-6H,1,3-4H2
InChIKeyDEUIAEPLEVOXKG-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.44
Rot. Bonds1

About 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one

6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one (PubChem CID 67963785) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
PubChem CID67963785
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
SMILESC=CC(=O)N1C(=O)C2COCC21
InChIInChI=1S/C8H9NO3/c1-2-7(10)9-6-4-12-3-5(6)8(9)11/h2,5-6H,1,3-4H2
InChIKeyDEUIAEPLEVOXKG-UHFFFAOYSA-N
XLogP-0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-Methylprop-2-enoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
CID 67963786
6-(2-Methylbutanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-7-one
CID 67963875

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one (CID 67963785) is 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one is C=CC(=O)N1C(=O)C2COCC21.
What is the InChIKey of 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is DEUIAEPLEVOXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-7(10)9-6-4-12-3-5(6)8(9)11/h2,5-6H,1,3-4H2.
What are the key properties of 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one?
6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 167.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyl-3-oxa-6-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 67963785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).