(5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one

C8H10O2 — CID 5325631

IUPAC(5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one
SMILESC=C1C[C@H](/C=C/C)OC1=O
InChIInChI=1S/C8H10O2/c1-3-4-7-5-6(2)8(9)10-7/h3-4,7H,2,5H2,1H3/b4-3+/t7-/m0/s1
InChIKeyIFZJODBJRBGXII-SDLBARTOSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one

(5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one (PubChem CID 5325631) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one
PubChem CID5325631
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one
SMILESC=C1C[C@H](/C=C/C)OC1=O
InChIInChI=1S/C8H10O2/c1-3-4-7-5-6(2)8(9)10-7/h3-4,7H,2,5H2,1H3/b4-3+/t7-/m0/s1
InChIKeyIFZJODBJRBGXII-SDLBARTOSA-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

Tuberatolide A
CID 50993673
Anthecotulide
CID 11962174
Marmelolactone A
CID 101282726
Marmelolactone B
CID 101282733
gamma-Methyl-alpha-methylene-gamma-butyrolactone
CID 99939
(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
(5S)-5-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]oxolan-2-one
CID 162655447
Asteriscunolide A
CID 13919624
(4Z,7E,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919626
(4E,7E,10S)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919627
Manshurolide
CID 14527198
(3E,5S)-5-(2-methylprop-1-enyl)-3-(4-oxopentylidene)tetrahydrofuran-2-one
CID 44179793

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one?
The IUPAC name of (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one (CID 5325631) is (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one.
What is the SMILES notation for (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one?
The canonical SMILES for (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one is C=C1C[C@H](/C=C/C)OC1=O.
What is the InChIKey of (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one?
The InChIKey is IFZJODBJRBGXII-SDLBARTOSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-4-7-5-6(2)8(9)10-7/h3-4,7H,2,5H2,1H3/b4-3+/t7-/m0/s1.
What are the key properties of (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one?
(5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-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 (5R)-3-methylidene-5-[(E)-prop-1-enyl]oxolan-2-one is sourced from PubChem (CID 5325631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).