(E)-2-methylpent-2-enedioic acid

C6H8O4 — CID 6368126

IUPAC(E)-2-methylpent-2-enedioic acid
SMILESC/C(=C\CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChIKeyJKGHDBJDBRBRNA-DUXPYHPUSA-N
MW144.13 g/mol
LogP0.49
Rot. Bonds3

About (E)-2-methylpent-2-enedioic acid

(E)-2-methylpent-2-enedioic acid (PubChem CID 6368126) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (E)-2-methylpent-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-methylpent-2-enedioic acid
PubChem CID6368126
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(E)-2-methylpent-2-enedioic acid
SMILESC/C(=C\CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChIKeyJKGHDBJDBRBRNA-DUXPYHPUSA-N
XLogP0.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methylpent-2-enedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylpent-2-enedioic acid?
The IUPAC name of (E)-2-methylpent-2-enedioic acid (CID 6368126) is (E)-2-methylpent-2-enedioic acid.
What is the SMILES notation for (E)-2-methylpent-2-enedioic acid?
The canonical SMILES for (E)-2-methylpent-2-enedioic acid is C/C(=C\CC(=O)O)C(=O)O.
What is the InChIKey of (E)-2-methylpent-2-enedioic acid?
The InChIKey is JKGHDBJDBRBRNA-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+.
What are the key properties of (E)-2-methylpent-2-enedioic acid?
(E)-2-methylpent-2-enedioic acid has a molecular weight of 144.13 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylpent-2-enedioic acid is sourced from PubChem (CID 6368126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).