4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one

C8H8O2 — CID 24976218

IUPAC4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESC/C=C/C1=CC(=O)C2OC12
InChIInChI=1S/C8H8O2/c1-2-3-5-4-6(9)8-7(5)10-8/h2-4,7-8H,1H3/b3-2+
InChIKeyVUZNBCQDUFOADZ-NSCUHMNNSA-N
MW136.15 g/mol
LogP0.84
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one

4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one (PubChem CID 24976218) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one
PubChem CID24976218
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESC/C=C/C1=CC(=O)C2OC12
InChIInChI=1S/C8H8O2/c1-2-3-5-4-6(9)8-7(5)10-8/h2-4,7-8H,1H3/b3-2+
InChIKeyVUZNBCQDUFOADZ-NSCUHMNNSA-N
XLogP0.84
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(1S,5R)-5-acetyloxy-4-oxo-2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl] acetate
CID 10879166
Dihydronaphthofuranone
CID 88036029
2,4-dimethyl-8aH-chromene-7,8-dione
CID 145923069
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-2-yl)ethanone
CID 139242833
[5-acetyloxy-4-oxo-2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl] acetate
CID 46192636
(5-Acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate
CID 75168992
3-acetyl-5-methylidene-3,4-dihydro-1H-isochromen-8-one
CID 141810658
3,4-bis(ethenyl)-6-methyl-2H-pyran-5-one
CID 142279275
3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one
CID 142279321
3aH-cyclohepta[e][1]benzofuran-1-one
CID 154176235
3,4-Dimethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 154560070
1-(4-Ethyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanone
CID 170553014

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one (CID 24976218) is 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one is C/C=C/C1=CC(=O)C2OC12.
What is the InChIKey of 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is VUZNBCQDUFOADZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-3-5-4-6(9)8-7(5)10-8/h2-4,7-8H,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one?
4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 24976218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).