methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate

C10H10O5 — CID 10512621

IUPACmethyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate
SMILESC=CC1=C(OC)/C(=C/C(=O)OC)OC1=O
InChIInChI=1S/C10H10O5/c1-4-6-9(14-3)7(15-10(6)12)5-8(11)13-2/h4-5H,1H2,2-3H3/b7-5-
InChIKeyVBKRDFADWFIGFQ-ALCCZGGFSA-N
MW210.18 g/mol
LogP0.69
Rot. Bonds3

About methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate

methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate (PubChem CID 10512621) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate
PubChem CID10512621
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Namemethyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate
SMILESC=CC1=C(OC)/C(=C/C(=O)OC)OC1=O
InChIInChI=1S/C10H10O5/c1-4-6-9(14-3)7(15-10(6)12)5-8(11)13-2/h4-5H,1H2,2-3H3/b7-5-
InChIKeyVBKRDFADWFIGFQ-ALCCZGGFSA-N
XLogP0.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 539675
Ethyl 2-methyl-6-oxopyran-3-carboxylate
CID 44245108
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
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Dimethyl oxepine-4,5-dicarboxylate
CID 85635619
(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one
CID 134859373
Carbanide;dimethyl 2-ethenylbut-2-enedioate;rhodium
CID 134866986
3-Ethenyl-4-methoxypyran-2-one
CID 134977148
Diethyl oxepine-4,5-dicarboxylate
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3-[(1E,3E,5E)-4,6-dimethyl-7-oxoocta-1,3,5-trienyl]-4-methoxy-5-methylidenefuran-2-one
CID 135038792

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate (CID 10512621) is methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate is C=CC1=C(OC)/C(=C/C(=O)OC)OC1=O.
What is the InChIKey of methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is VBKRDFADWFIGFQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10O5/c1-4-6-9(14-3)7(15-10(6)12)5-8(11)13-2/h4-5H,1H2,2-3H3/b7-5-.
What are the key properties of methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate?
methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 210.18 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 10512621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).