(Z)-pent-2-enedioic acid

C5H6O4 — CID 5370328

IUPAC(Z)-pent-2-enedioic acid
SMILESO=C(O)/C=C\CC(=O)O
InChIInChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1-
InChIKeyXVOUMQNXTGKGMA-UPHRSURJSA-N
MW130.10 g/mol
LogP0.10
Rot. Bonds3

About (Z)-pent-2-enedioic acid

(Z)-pent-2-enedioic acid (PubChem CID 5370328) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is (Z)-pent-2-enedioic acid.

Molecular Properties

Compound Name(Z)-pent-2-enedioic acid
PubChem CID5370328
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(Z)-pent-2-enedioic acid
SMILESO=C(O)/C=C\CC(=O)O
InChIInChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1-
InChIKeyXVOUMQNXTGKGMA-UPHRSURJSA-N
XLogP0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-pent-2-enedioic acid?
The IUPAC name of (Z)-pent-2-enedioic acid (CID 5370328) is (Z)-pent-2-enedioic acid.
What is the SMILES notation for (Z)-pent-2-enedioic acid?
The canonical SMILES for (Z)-pent-2-enedioic acid is O=C(O)/C=C\CC(=O)O.
What is the InChIKey of (Z)-pent-2-enedioic acid?
The InChIKey is XVOUMQNXTGKGMA-UPHRSURJSA-N. The full InChI is InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1-.
What are the key properties of (Z)-pent-2-enedioic acid?
(Z)-pent-2-enedioic acid has a molecular weight of 130.10 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pent-2-enedioic acid is sourced from PubChem (CID 5370328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).