4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione

C10H10O4 — CID 163014231

IUPAC4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
SMILESCC=CC12OC1C(=O)C(OC)=CC2=O
InChIInChI=1S/C10H10O4/c1-3-4-10-7(11)5-6(13-2)8(12)9(10)14-10/h3-5,9H,1-2H3
InChIKeyPSHGBKDLSXUEFM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.38
Rot. Bonds2

About 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione

4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione (PubChem CID 163014231) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione.

Molecular Properties

Compound Name4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
PubChem CID163014231
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
SMILESCC=CC12OC1C(=O)C(OC)=CC2=O
InChIInChI=1S/C10H10O4/c1-3-4-10-7(11)5-6(13-2)8(12)9(10)14-10/h3-5,9H,1-2H3
InChIKeyPSHGBKDLSXUEFM-UHFFFAOYSA-N
XLogP0.38
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
The IUPAC name of 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione (CID 163014231) is 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione.
What is the SMILES notation for 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
The canonical SMILES for 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione is CC=CC12OC1C(=O)C(OC)=CC2=O.
What is the InChIKey of 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
The InChIKey is PSHGBKDLSXUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-4-10-7(11)5-6(13-2)8(12)9(10)14-10/h3-5,9H,1-2H3.
What are the key properties of 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione has a molecular weight of 194.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-prop-1-enyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione is sourced from PubChem (CID 163014231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).