(6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one

C8H10O2 — CID 5370128

IUPAC(6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one
SMILESO=C1CCC/C=C\C2OC12
InChIInChI=1S/C8H10O2/c9-6-4-2-1-3-5-7-8(6)10-7/h3,5,7-8H,1-2,4H2/b5-3-
InChIKeyNQYLXGZWPZIHHW-HYXAFXHYSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one

(6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one (PubChem CID 5370128) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one.

Molecular Properties

Compound Name(6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one
PubChem CID5370128
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one
SMILESO=C1CCC/C=C\C2OC12
InChIInChI=1S/C8H10O2/c9-6-4-2-1-3-5-7-8(6)10-7/h3,5,7-8H,1-2,4H2/b5-3-
InChIKeyNQYLXGZWPZIHHW-HYXAFXHYSA-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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Related Compounds

9-Oxabicyclo(3.3.1)non-6-en-2-one
CID 557027
9-Oxabicyclo[3.3.1]non-6-en-3-one
CID 557028
(4Z)-9-oxabicyclo[6.1.0]non-4-en-2-one
CID 14546311
9-Oxabicyclo(3.3.1)non-6-en-2-one, (1R)-
CID 130995371
CID 573000
CID 573000
CID 11231734
CID 11231734
8-Oxabicyclo[5.1.0]oct-5-en-3-one
CID 130028273
(4Z)-3-methoxycyclooct-4-en-1-one
CID 133615733
(5Z)-10-oxabicyclo[7.1.0]dec-5-en-2-one
CID 133626100
(1R,4Z,8S)-9-oxabicyclo[6.1.0]non-4-en-2-one
CID 133680337

Frequently Asked Questions

What is the IUPAC name of (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one?
The IUPAC name of (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one (CID 5370128) is (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one.
What is the SMILES notation for (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one?
The canonical SMILES for (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one is O=C1CCC/C=C\C2OC12.
What is the InChIKey of (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one?
The InChIKey is NQYLXGZWPZIHHW-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-4-2-1-3-5-7-8(6)10-7/h3,5,7-8H,1-2,4H2/b5-3-.
What are the key properties of (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one?
(6Z)-9-oxabicyclo[6.1.0]non-6-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 (6Z)-9-oxabicyclo[6.1.0]non-6-en-2-one is sourced from PubChem (CID 5370128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).