(Z)-2-methylbut-2-enedioic acid

C5H6O4 — CID 643798

IUPAC(Z)-2-methylbut-2-enedioic acid
SMILESC/C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKeyHNEGQIOMVPPMNR-IHWYPQMZSA-N
MW130.10 g/mol
LogP0.10
Rot. Bonds2

About (Z)-2-methylbut-2-enedioic acid

(Z)-2-methylbut-2-enedioic acid (PubChem CID 643798) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is (Z)-2-methylbut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-methylbut-2-enedioic acid
PubChem CID643798
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(Z)-2-methylbut-2-enedioic acid
SMILESC/C(=C/C(=O)O)C(=O)O
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKeyHNEGQIOMVPPMNR-IHWYPQMZSA-N
XLogP0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

3-Methyl-2-butenoic acid
CID 10931
Methacrylic Acid
CID 4093
Tiglic acid
CID 125468
Mesaconic acid
CID 638129
2,3-Dimethylacrylic acid, (Z)-
CID 643915
2-Methyl-2-pentenoic acid
CID 5365909
2-Methylpent-2-en-1-oic acid
CID 18458
2-Methyl-2-pentenoic acid, (2Z)-
CID 6436344
(2E)-2-Methyl-2-pentenedioic acid
CID 6368126
2-Butenoic acid, 2-methyl-
CID 6656
Citraconate
CID 5461090
Mesaconate(2-)
CID 7257940

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylbut-2-enedioic acid?
The IUPAC name of (Z)-2-methylbut-2-enedioic acid (CID 643798) is (Z)-2-methylbut-2-enedioic acid.
What is the SMILES notation for (Z)-2-methylbut-2-enedioic acid?
The canonical SMILES for (Z)-2-methylbut-2-enedioic acid is C/C(=C/C(=O)O)C(=O)O.
What is the InChIKey of (Z)-2-methylbut-2-enedioic acid?
The InChIKey is HNEGQIOMVPPMNR-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-.
What are the key properties of (Z)-2-methylbut-2-enedioic acid?
(Z)-2-methylbut-2-enedioic acid has a molecular weight of 130.10 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-2-enedioic acid is sourced from PubChem (CID 643798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).