(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one

C8H10O2 — CID 14546311

IUPAC(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one
SMILESO=C1C/C=C\CCC2OC12
InChIInChI=1S/C8H10O2/c9-6-4-2-1-3-5-7-8(6)10-7/h1-2,7-8H,3-5H2/b2-1-
InChIKeyBHHWMJFVYSIBOH-UPHRSURJSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one

(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one (PubChem CID 14546311) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one.

Molecular Properties

Compound Name(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one
PubChem CID14546311
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one
SMILESO=C1C/C=C\CCC2OC12
InChIInChI=1S/C8H10O2/c9-6-4-2-1-3-5-7-8(6)10-7/h1-2,7-8H,3-5H2/b2-1-
InChIKeyBHHWMJFVYSIBOH-UPHRSURJSA-N
XLogP1.06
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one?
The IUPAC name of (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one (CID 14546311) is (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one.
What is the SMILES notation for (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one?
The canonical SMILES for (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one is O=C1C/C=C\CCC2OC12.
What is the InChIKey of (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one?
The InChIKey is BHHWMJFVYSIBOH-UPHRSURJSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-4-2-1-3-5-7-8(6)10-7/h1-2,7-8H,3-5H2/b2-1-.
What are the key properties of (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one?
(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one is sourced from PubChem (CID 14546311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).