(Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium

C9H19N3O4 — CID 12898264

IUPAC(Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.NNC(=O)/C=C\C(=O)[O-]
InChIInChI=1S/C5H14NO.C4H6N2O3/c1-6(2,3)4-5-7;5-6-3(7)1-2-4(8)9/h7H,4-5H2,1-3H3;1-2H,5H2,(H,6,7)(H,8,9)/q+1;/p-1/b;2-1-
InChIKeyAIOUZLSKGYTLCA-BTJKTKAUSA-M
MW233.27 g/mol
LogP-3.03
Rot. Bonds4

About (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium

(Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 12898264) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name(Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium
PubChem CID12898264
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name(Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.NNC(=O)/C=C\C(=O)[O-]
InChIInChI=1S/C5H14NO.C4H6N2O3/c1-6(2,3)4-5-7;5-6-3(7)1-2-4(8)9/h7H,4-5H2,1-3H3;1-2H,5H2,(H,6,7)(H,8,9)/q+1;/p-1/b;2-1-
InChIKeyAIOUZLSKGYTLCA-BTJKTKAUSA-M
XLogP-3.03
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-3.03
H-Bond Donors ≤ 53
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium (CID 12898264) is (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.NNC(=O)/C=C\C(=O)[O-].
What is the InChIKey of (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is AIOUZLSKGYTLCA-BTJKTKAUSA-M. The full InChI is InChI=1S/C5H14NO.C4H6N2O3/c1-6(2,3)4-5-7;5-6-3(7)1-2-4(8)9/h7H,4-5H2,1-3H3;1-2H,5H2,(H,6,7)(H,8,9)/q+1;/p-1/b;2-1-.
What are the key properties of (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium?
(Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 233.27 g/mol, XLogP of -3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydrazinyl-4-oxobut-2-enoate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 12898264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).