(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one

C7H8O3 — CID 98527884

IUPAC(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one
SMILESO=C1OCC/C1=C/[C@@H]1CO1
InChIInChI=1S/C7H8O3/c8-7-5(1-2-9-7)3-6-4-10-6/h3,6H,1-2,4H2/b5-3-/t6-/m1/s1
InChIKeyGGDFWICLZVXAER-CWVDAHFDSA-N
MW140.14 g/mol
LogP0.26
Rot. Bonds1

About (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one

(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one (PubChem CID 98527884) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one
PubChem CID98527884
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one
SMILESO=C1OCC/C1=C/[C@@H]1CO1
InChIInChI=1S/C7H8O3/c8-7-5(1-2-9-7)3-6-4-10-6/h3,6H,1-2,4H2/b5-3-/t6-/m1/s1
InChIKeyGGDFWICLZVXAER-CWVDAHFDSA-N
XLogP0.26
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one?
The IUPAC name of (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one (CID 98527884) is (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one?
The canonical SMILES for (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one is O=C1OCC/C1=C/[C@@H]1CO1.
What is the InChIKey of (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one?
The InChIKey is GGDFWICLZVXAER-CWVDAHFDSA-N. The full InChI is InChI=1S/C7H8O3/c8-7-5(1-2-9-7)3-6-4-10-6/h3,6H,1-2,4H2/b5-3-/t6-/m1/s1.
What are the key properties of (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one?
(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one is sourced from PubChem (CID 98527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).