1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one

C9H12O2 — CID 141003684

IUPAC1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one
SMILESCC=CC12OC1CCCC2=O
InChIInChI=1S/C9H12O2/c1-2-6-9-7(10)4-3-5-8(9)11-9/h2,6,8H,3-5H2,1H3
InChIKeyKGQZEUSKHIMXKG-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.45
Rot. Bonds1

About 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one

1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one (PubChem CID 141003684) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one
PubChem CID141003684
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one
SMILESCC=CC12OC1CCCC2=O
InChIInChI=1S/C9H12O2/c1-2-6-9-7(10)4-3-5-8(9)11-9/h2,6,8H,3-5H2,1H3
InChIKeyKGQZEUSKHIMXKG-UHFFFAOYSA-N
XLogP1.45
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.45
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

6-But-3-enyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 14265412
1-But-3-enyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 134881568
(3E)-3-(1-methoxypropan-2-ylidene)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 59088437
1a,2,3,4-Tetrahydronaphtho[1,8a-b]oxiren-8-one
CID 60116994
3-(1-Methoxypropan-2-ylidene)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 72512816
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)undecan-1-one
CID 88164329
1-Ethenyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 88242432
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)nonan-1-one
CID 140976032
6-Ethenyl-7-oxabicyclo[4.1.0]heptane-2,3-dione
CID 150741525
1-Ethenyl-7-oxabicyclo[4.1.0]heptane-2,3-dione
CID 151382934
(1S,6S)-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-2-one
CID 25208327
(1S,6S)-1-prop-2-enyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 102282182

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one?
The IUPAC name of 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one (CID 141003684) is 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one?
The canonical SMILES for 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one is CC=CC12OC1CCCC2=O.
What is the InChIKey of 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one?
The InChIKey is KGQZEUSKHIMXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-6-9-7(10)4-3-5-8(9)11-9/h2,6,8H,3-5H2,1H3.
What are the key properties of 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one?
1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enyl-7-oxabicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 141003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).