(Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide

C10H16N4O4 — CID 88643552

IUPAC(Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide
SMILESNNC(=O)/C=C\C(=O)N(CC1CO1)NCC1CO1
InChIInChI=1S/C10H16N4O4/c11-13-9(15)1-2-10(16)14(4-8-6-18-8)12-3-7-5-17-7/h1-2,7-8,12H,3-6,11H2,(H,13,15)/b2-1-
InChIKeyCRPDQCXCHCATIW-UPHRSURJSA-N
MW256.26 g/mol
LogP-2.34
Rot. Bonds7

About (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide

(Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide (PubChem CID 88643552) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide.

Molecular Properties

Compound Name(Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide
PubChem CID88643552
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide
SMILESNNC(=O)/C=C\C(=O)N(CC1CO1)NCC1CO1
InChIInChI=1S/C10H16N4O4/c11-13-9(15)1-2-10(16)14(4-8-6-18-8)12-3-7-5-17-7/h1-2,7-8,12H,3-6,11H2,(H,13,15)/b2-1-
InChIKeyCRPDQCXCHCATIW-UPHRSURJSA-N
XLogP-2.34
TPSA112.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide?
The IUPAC name of (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide (CID 88643552) is (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide.
What is the SMILES notation for (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide?
The canonical SMILES for (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide is NNC(=O)/C=C\C(=O)N(CC1CO1)NCC1CO1.
What is the InChIKey of (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide?
The InChIKey is CRPDQCXCHCATIW-UPHRSURJSA-N. The full InChI is InChI=1S/C10H16N4O4/c11-13-9(15)1-2-10(16)14(4-8-6-18-8)12-3-7-5-17-7/h1-2,7-8,12H,3-6,11H2,(H,13,15)/b2-1-.
What are the key properties of (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide?
(Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide has a molecular weight of 256.26 g/mol, XLogP of -2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N,4-N'-bis(oxiran-2-ylmethyl)but-2-enedihydrazide is sourced from PubChem (CID 88643552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).