(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium

C9H22N5O3+ — CID 21152151

IUPAC(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.NNC(=O)/C=C\C(=O)NN
InChIInChI=1S/C5H14NO.C4H8N4O2/c1-6(2,3)4-5-7;5-7-3(9)1-2-4(10)8-6/h7H,4-5H2,1-3H3;1-2H,5-6H2,(H,7,9)(H,8,10)/q+1;/b;2-1-
InChIKeySDJQOFPGOKIGPN-BTJKTKAUSA-N
MW248.31 g/mol
LogP-2.79
Rot. Bonds4

About (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium

(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium (PubChem CID 21152151) has the molecular formula C9H22N5O3+ and a molecular weight of 248.31 g/mol. Its IUPAC name is (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium
PubChem CID21152151
Molecular FormulaC9H22N5O3+
Molecular Weight248.31 g/mol
Exact Mass248.17
IUPAC Name(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.NNC(=O)/C=C\C(=O)NN
InChIInChI=1S/C5H14NO.C4H8N4O2/c1-6(2,3)4-5-7;5-7-3(9)1-2-4(10)8-6/h7H,4-5H2,1-3H3;1-2H,5-6H2,(H,7,9)(H,8,10)/q+1;/b;2-1-
InChIKeySDJQOFPGOKIGPN-BTJKTKAUSA-N
XLogP-2.79
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-2.79
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium (CID 21152151) is (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.NNC(=O)/C=C\C(=O)NN.
What is the InChIKey of (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is SDJQOFPGOKIGPN-BTJKTKAUSA-N. The full InChI is InChI=1S/C5H14NO.C4H8N4O2/c1-6(2,3)4-5-7;5-7-3(9)1-2-4(10)8-6/h7H,4-5H2,1-3H3;1-2H,5-6H2,(H,7,9)(H,8,10)/q+1;/b;2-1-.
What are the key properties of (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium?
(Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 248.31 g/mol, XLogP of -2.79, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedihydrazide;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 21152151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).