(1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one

C9H12O2 — CID 134896050

IUPAC(1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1/CCCC2OC12
InChIInChI=1S/C9H12O2/c1-6(10)5-7-3-2-4-8-9(7)11-8/h5,8-9H,2-4H2,1H3/b7-5-
InChIKeyADUVPTPWFAOUPB-ALCCZGGFSA-N
MW152.19 g/mol
LogP1.45
Rot. Bonds1

About (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one

(1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one (PubChem CID 134896050) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one
PubChem CID134896050
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1/CCCC2OC12
InChIInChI=1S/C9H12O2/c1-6(10)5-7-3-2-4-8-9(7)11-8/h5,8-9H,2-4H2,1H3/b7-5-
InChIKeyADUVPTPWFAOUPB-ALCCZGGFSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2Z)-7-oxabicyclo[4.1.0]hept-2-ylideneethanoate
CID 12492549
ethyl (2E)-2-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-2-ylidene]acetate
CID 11579230
ethyl (E,4Z)-4-(7-oxabicyclo[4.1.0]heptan-2-ylidene)but-2-enoate
CID 134880350
methyl (2E)-2-(7-oxabicyclo[4.1.0]heptan-2-ylidene)acetate
CID 10057906
1-(8-Oxabicyclo[3.2.1]oct-6-en-3-ylidene)propan-2-one
CID 22965750
Methyl 2-(7-oxabicyclo[4.1.0]heptan-2-ylidene)acetate
CID 85106676
methyl (2Z)-2-(7-oxabicyclo[4.1.0]heptan-2-ylidene)acetate
CID 10261478
ethyl (2E)-2-(7-oxabicyclo[4.1.0]heptan-2-ylidene)acetate
CID 12492548
(2E)-2-ethylidene-7-oxabicyclo[4.1.0]heptane
CID 13545328
1-(2-Methoxycyclohexylidene)-2-propanone
CID 106875051
ethyl (2Z)-2-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ylidene]acetate
CID 177407491

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one?
The IUPAC name of (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one (CID 134896050) is (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one is CC(=O)/C=C1/CCCC2OC12.
What is the InChIKey of (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one?
The InChIKey is ADUVPTPWFAOUPB-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(10)5-7-3-2-4-8-9(7)11-8/h5,8-9H,2-4H2,1H3/b7-5-.
What are the key properties of (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one?
(1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-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 (1Z)-1-(7-oxabicyclo[4.1.0]heptan-2-ylidene)propan-2-one is sourced from PubChem (CID 134896050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).