(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one

C5H4O2 — CID 13253263

IUPAC(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESO=C1C=C[C@H]2O[C@@H]12
InChIInChI=1S/C5H4O2/c6-3-1-2-4-5(3)7-4/h1-2,4-5H/t4-,5+/m1/s1
InChIKeyXBJAJFCHSYNWOJ-UHNVWZDZSA-N
MW96.08 g/mol
LogP-0.11
Rot. Bonds

About (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one

(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one (PubChem CID 13253263) has the molecular formula C5H4O2 and a molecular weight of 96.08 g/mol. Its IUPAC name is (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one
PubChem CID13253263
Molecular FormulaC5H4O2
Molecular Weight96.08 g/mol
Exact Mass96.02
IUPAC Name(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESO=C1C=C[C@H]2O[C@@H]12
InChIInChI=1S/C5H4O2/c6-3-1-2-4-5(3)7-4/h1-2,4-5H/t4-,5+/m1/s1
InChIKeyXBJAJFCHSYNWOJ-UHNVWZDZSA-N
XLogP-0.11
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 5-0.11
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

8-Oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 85809052
2,3-Epoxy-6-oxo-4-heptenal
CID 129803464
2,3-Epoxy-6-oxo-4-hexenal
CID 129830229
6-Oxabicyclo[3.1.0]hex-3-en-2-one
CID 13253262
4,5-Dimethoxycyclopent-2-en-1-one
CID 18736372
7-Oxabicyclo[4.1.0]hept-3-en-2-one
CID 19978898
6-ethyl-2H-pyran-5-one
CID 53720178
7-Oxabicyclo[4.1.0]hept-4-en-2-one
CID 88598101
(Z)-1-(3-methyloxiran-2-yl)but-2-en-1-one
CID 156679858
8-Oxabicyclo[5.1.0]octa-3,5-dien-2-one
CID 12208089
1-(Methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566492
CID 14566493
CID 14566493

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one (CID 13253263) is (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one is O=C1C=C[C@H]2O[C@@H]12.
What is the InChIKey of (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is XBJAJFCHSYNWOJ-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H4O2/c6-3-1-2-4-5(3)7-4/h1-2,4-5H/t4-,5+/m1/s1.
What are the key properties of (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 96.08 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 13253263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).