(3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one

C9H11O2+ — CID 135040836

IUPAC(3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one
SMILESC=C[CH+]C1C/C(=C/C)C(=O)O1
InChIInChI=1S/C9H11O2/c1-3-5-8-6-7(4-2)9(10)11-8/h3-5,8H,1,6H2,2H3/q+1/b7-4-
InChIKeyKUPCWIQJLIRNDY-DAXSKMNVSA-N
MW151.18 g/mol
LogP1.64
Rot. Bonds2

About (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one

(3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one (PubChem CID 135040836) has the molecular formula C9H11O2+ and a molecular weight of 151.18 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one
PubChem CID135040836
Molecular FormulaC9H11O2+
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name(3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one
SMILESC=C[CH+]C1C/C(=C/C)C(=O)O1
InChIInChI=1S/C9H11O2/c1-3-5-8-6-7(4-2)9(10)11-8/h3-5,8H,1,6H2,2H3/q+1/b7-4-
InChIKeyKUPCWIQJLIRNDY-DAXSKMNVSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-ethylidene-5-prop-2-enyloxolan-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

Tuberatolide A
CID 50993673
(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
16-Oxosarcoglaucol Acetate
CID 11384096
(3E,5S)-3-[(E)-4-methyl-7-(5-oxo-2H-furan-3-yl)hept-4-enylidene]-5-(2-methylprop-1-enyl)tetrahydrofuran-2-one
CID 44179724
5-Ethyl-3-methylene-dihydro-furan-2-one
CID 10725353
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
Manshurolide
CID 14527198
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793
3-butyl-2(5H)-furanone
CID 11768654
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Berkedienolactone
CID 57379199
(3E)-3-[(4E,8E)-4,8-dimethyl-11-(5-oxo-2H-furan-3-yl)undeca-4,8-dienylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
CID 10023812

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one?
The IUPAC name of (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one (CID 135040836) is (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one?
The canonical SMILES for (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one is C=C[CH+]C1C/C(=C/C)C(=O)O1.
What is the InChIKey of (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one?
The InChIKey is KUPCWIQJLIRNDY-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H11O2/c1-3-5-8-6-7(4-2)9(10)11-8/h3-5,8H,1,6H2,2H3/q+1/b7-4-.
What are the key properties of (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one?
(3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one has a molecular weight of 151.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-prop-2-enyloxolan-2-one is sourced from PubChem (CID 135040836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).