(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid

C9H12N2O7 — CID 158985385

IUPAC(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)NN.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C5H8N2O3.C4H4O4/c1-3(2-4(8)9)5(10)7-6;5-3(6)1-2-4(7)8/h2H,6H2,1H3,(H,7,10)(H,8,9);1-2H,(H,5,6)(H,7,8)/b3-2-;2-1-
InChIKeyJPMWEVFIXGWUHK-FGRDZWBJSA-N
MW260.20 g/mol
LogP-1.28
Rot. Bonds4

About (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid

(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid (PubChem CID 158985385) has the molecular formula C9H12N2O7 and a molecular weight of 260.20 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid
PubChem CID158985385
Molecular FormulaC9H12N2O7
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid
SMILESC/C(=C/C(=O)O)C(=O)NN.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C5H8N2O3.C4H4O4/c1-3(2-4(8)9)5(10)7-6;5-3(6)1-2-4(7)8/h2H,6H2,1H3,(H,7,10)(H,8,9);1-2H,(H,5,6)(H,7,8)/b3-2-;2-1-
InChIKeyJPMWEVFIXGWUHK-FGRDZWBJSA-N
XLogP-1.28
TPSA167.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

but-2-enedioic acid;2-methylbut-2-enedioic acid
CID 173069076
but-2-enedioic acid;propan-2-ylhydrazine
CID 159437299
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
CID 172758892
CID 172758892
bis((E)-2-methylbut-2-enedioic acid);zirconium
CID 146019810
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121
(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
CID 158960981
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
strontium;hydride;(E)-2-methylbut-2-enedioic acid
CID 173151439
(Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate
CID 22608878
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;hydrate
CID 86620054

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid (CID 158985385) is (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid is C/C(=C/C(=O)O)C(=O)NN.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid?
The InChIKey is JPMWEVFIXGWUHK-FGRDZWBJSA-N. The full InChI is InChI=1S/C5H8N2O3.C4H4O4/c1-3(2-4(8)9)5(10)7-6;5-3(6)1-2-4(7)8/h2H,6H2,1H3,(H,7,10)(H,8,9);1-2H,(H,5,6)(H,7,8)/b3-2-;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid?
(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid has a molecular weight of 260.20 g/mol, XLogP of -1.28, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 158985385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).