3-methylidene-5-prop-1-en-2-yloxolan-2-one

C8H10O2 — CID 14714230

IUPAC3-methylidene-5-prop-1-en-2-yloxolan-2-one
SMILESC=C1CC(C(=C)C)OC1=O
InChIInChI=1S/C8H10O2/c1-5(2)7-4-6(3)8(9)10-7/h7H,1,3-4H2,2H3
InChIKeyVTUMRYUNISZRPL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About 3-methylidene-5-prop-1-en-2-yloxolan-2-one

3-methylidene-5-prop-1-en-2-yloxolan-2-one (PubChem CID 14714230) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methylidene-5-prop-1-en-2-yloxolan-2-one.

Molecular Properties

Compound Name3-methylidene-5-prop-1-en-2-yloxolan-2-one
PubChem CID14714230
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-methylidene-5-prop-1-en-2-yloxolan-2-one
SMILESC=C1CC(C(=C)C)OC1=O
InChIInChI=1S/C8H10O2/c1-5(2)7-4-6(3)8(9)10-7/h7H,1,3-4H2,2H3
InChIKeyVTUMRYUNISZRPL-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-prop-1-en-2-yloxolan-2-one
CID 12914394
(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one
CID 5325916
(5S)-5-tert-butyl-3-methylideneoxolan-2-one
CID 102189232
(5R,6R)-6-iodo-5-methyl-3-methylideneoxan-2-one
CID 89059197
5-[(E)-2,4-dimethylpent-2-enyl]-3-methylideneoxolan-2-one
CID 145077120
3-methylidene-5-(methylsulfanylmethyl)oxolan-2-one
CID 19378131
(2R)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
CID 102222645
(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one
CID 92527198
heptane;5-methyl-3-methylideneoxolan-2-one
CID 143320585
5-(1-hydroxyethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
CID 11521260
3-methylidene-5-pentyloxolan-2-one
CID 10583238
methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10515162

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-prop-1-en-2-yloxolan-2-one?
The IUPAC name of 3-methylidene-5-prop-1-en-2-yloxolan-2-one (CID 14714230) is 3-methylidene-5-prop-1-en-2-yloxolan-2-one.
What is the SMILES notation for 3-methylidene-5-prop-1-en-2-yloxolan-2-one?
The canonical SMILES for 3-methylidene-5-prop-1-en-2-yloxolan-2-one is C=C1CC(C(=C)C)OC1=O.
What is the InChIKey of 3-methylidene-5-prop-1-en-2-yloxolan-2-one?
The InChIKey is VTUMRYUNISZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5(2)7-4-6(3)8(9)10-7/h7H,1,3-4H2,2H3.
What are the key properties of 3-methylidene-5-prop-1-en-2-yloxolan-2-one?
3-methylidene-5-prop-1-en-2-yloxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-prop-1-en-2-yloxolan-2-one is sourced from PubChem (CID 14714230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).