2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate

C10H10O5 — CID 22278163

IUPAC2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate
SMILESC=C(C)C(=O)OC(=O)C(=O)C(=O)C(=C)C
InChIInChI=1S/C10H10O5/c1-5(2)7(11)8(12)10(14)15-9(13)6(3)4/h1,3H2,2,4H3
InChIKeyCDSZPQXGUCTRKI-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.35
Rot. Bonds4

About 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate

2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate (PubChem CID 22278163) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate
PubChem CID22278163
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate
SMILESC=C(C)C(=O)OC(=O)C(=O)C(=O)C(=C)C
InChIInChI=1S/C10H10O5/c1-5(2)7(11)8(12)10(14)15-9(13)6(3)4/h1,3H2,2,4H3
InChIKeyCDSZPQXGUCTRKI-UHFFFAOYSA-N
XLogP0.35
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate?
The IUPAC name of 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate (CID 22278163) is 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate is C=C(C)C(=O)OC(=O)C(=O)C(=O)C(=C)C.
What is the InChIKey of 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate?
The InChIKey is CDSZPQXGUCTRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-5(2)7(11)8(12)10(14)15-9(13)6(3)4/h1,3H2,2,4H3.
What are the key properties of 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate?
2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate has a molecular weight of 210.18 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 4-methyl-2,3-dioxopent-4-enoate is sourced from PubChem (CID 22278163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).