(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid

C8H10O6 — CID 87099776

IUPAC(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H6O2/c5-3(6)1-2-4(7)8;1-3(2)4(5)6/h1-2H,(H,5,6)(H,7,8);1H2,2H3,(H,5,6)/b2-1-;
InChIKeyHMEGGKJXNDSHHA-ODZAUARKSA-N
MW202.16 g/mol
LogP0.36
Rot. Bonds3

About (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid

(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid (PubChem CID 87099776) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid
PubChem CID87099776
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H6O2/c5-3(6)1-2-4(7)8;1-3(2)4(5)6/h1-2H,(H,5,6)(H,7,8);1H2,2H3,(H,5,6)/b2-1-;
InChIKeyHMEGGKJXNDSHHA-ODZAUARKSA-N
XLogP0.36
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-but-2-enedioic acid;2-methylprop-2-enoic acid?
The IUPAC name of (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid (CID 87099776) is (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid?
The InChIKey is HMEGGKJXNDSHHA-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C4H6O2/c5-3(6)1-2-4(7)8;1-3(2)4(5)6/h1-2H,(H,5,6)(H,7,8);1H2,2H3,(H,5,6)/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid?
(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid has a molecular weight of 202.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 87099776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).