(E)-pent-2-enedioic acid

C5H6O4 — CID 5280498

IUPAC(E)-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-OWOJBTEDSA-N
MW130.10 g/mol
LogP0.10
Rot. Bonds3

About (E)-pent-2-enedioic acid

(E)-pent-2-enedioic acid (PubChem CID 5280498) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is (E)-pent-2-enedioic acid.

Molecular Properties

Compound Name(E)-pent-2-enedioic acid
PubChem CID5280498
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(E)-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-OWOJBTEDSA-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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Related Compounds

trans-2-Pentenoic acid
CID 638122
(E)-hex-2-enedioic acid
CID 10877230
Pentenedioic acid
CID 74406
(2E)-2-Methyl-2-pentenedioic acid
CID 6368126
2-Pentenoic acid
CID 12299
3-Carboxymuconic acid, cis-
CID 5280404
Cis-pent-2-enoic acid
CID 643793
(Z)-2-methylpent-2-enedioic acid
CID 5787763
(E)-glutaconate(2-)
CID 6932338
(2Z)-2-Pentenedioic acid
CID 5370328
(2E,5E)-4-oxohepta-2,5-dienedioic acid
CID 5702864
3,4-Didehydro-2-ketoglutaric acid
CID 6443759

Frequently Asked Questions

What is the IUPAC name of (E)-pent-2-enedioic acid?
The IUPAC name of (E)-pent-2-enedioic acid (CID 5280498) is (E)-pent-2-enedioic acid.
What is the SMILES notation for (E)-pent-2-enedioic acid?
The canonical SMILES for (E)-pent-2-enedioic acid is O=C(O)/C=C/CC(=O)O.
What is the InChIKey of (E)-pent-2-enedioic acid?
The InChIKey is XVOUMQNXTGKGMA-OWOJBTEDSA-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 (E)-pent-2-enedioic acid?
(E)-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 (E)-pent-2-enedioic acid is sourced from PubChem (CID 5280498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).