(Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine

C14H20N2O4 — CID 6435550

IUPAC(Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine
SMILESCc1ccc(CCNN)cc1C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H16N2.C4H4O4/c1-8-3-4-10(5-6-12-11)7-9(8)2;5-3(6)1-2-4(7)8/h3-4,7,12H,5-6,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyPOELLDVXEKIYLL-BTJKTKAUSA-N
MW280.32 g/mol
LogP1.02
Rot. Bonds5

About (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine

(Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine (PubChem CID 6435550) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine
PubChem CID6435550
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine
SMILESCc1ccc(CCNN)cc1C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H16N2.C4H4O4/c1-8-3-4-10(5-6-12-11)7-9(8)2;5-3(6)1-2-4(7)8/h3-4,7,12H,5-6,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyPOELLDVXEKIYLL-BTJKTKAUSA-N
XLogP1.02
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine?
The IUPAC name of (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine (CID 6435550) is (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine is Cc1ccc(CCNN)cc1C.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine?
The InChIKey is POELLDVXEKIYLL-BTJKTKAUSA-N. The full InChI is InChI=1S/C10H16N2.C4H4O4/c1-8-3-4-10(5-6-12-11)7-9(8)2;5-3(6)1-2-4(7)8/h3-4,7,12H,5-6,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine?
(Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine has a molecular weight of 280.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(3,4-dimethylphenyl)ethylhydrazine is sourced from PubChem (CID 6435550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).