(Z)-but-2-enedioate

C4H2O4-2 — CID 5288227

About (Z)-but-2-enedioate

(Z)-but-2-enedioate (PubChem CID 5288227) has the molecular formula C4H2O4-2 and a molecular weight of 114.06 g/mol. Its IUPAC name is (Z)-but-2-enedioate.

Molecular Properties

• Compound Name: (Z)-but-2-enedioate
• PubChem CID: 5288227
• Molecular Formula: C4H2O4-2
• Molecular Weight: 114.06 g/mol
• Exact Mass: 114.00
• IUPAC Name: (Z)-but-2-enedioate
• SMILES: O=C([O-])/C=C\C(=O)[O-]
• InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1-
• InChIKey: VZCYOOQTPOCHFL-UPHRSURJSA-L
• XLogP: -2.96
• TPSA: 80.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	114.06
LogP ≤ 5	-2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate?

The IUPAC name of (Z)-but-2-enedioate (CID 5288227) is (Z)-but-2-enedioate.

What is the SMILES notation for (Z)-but-2-enedioate?

The canonical SMILES for (Z)-but-2-enedioate is O=C([O-])/C=C\C(=O)[O-].

What is the InChIKey of (Z)-but-2-enedioate?

The InChIKey is VZCYOOQTPOCHFL-UPHRSURJSA-L. The full InChI is InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1-.

What are the key properties of (Z)-but-2-enedioate?

(Z)-but-2-enedioate has a molecular weight of 114.06 g/mol, XLogP of -2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-enedioate is sourced from PubChem (CID 5288227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).