N'-[(E)-but-2-enyl]acetohydrazide

C6H12N2O — CID 11018887

IUPACN'-[(E)-but-2-enyl]acetohydrazide
SMILESC/C=C/CNNC(C)=O
InChIInChI=1S/C6H12N2O/c1-3-4-5-7-8-6(2)9/h3-4,7H,5H2,1-2H3,(H,8,9)/b4-3+
InChIKeyXPYDFRSGXVLVJD-ONEGZZNKSA-N
MW128.17 g/mol
LogP0.20
Rot. Bonds3

About N'-[(E)-but-2-enyl]acetohydrazide

N'-[(E)-but-2-enyl]acetohydrazide (PubChem CID 11018887) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N'-[(E)-but-2-enyl]acetohydrazide.

Molecular Properties

Compound NameN'-[(E)-but-2-enyl]acetohydrazide
PubChem CID11018887
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN'-[(E)-but-2-enyl]acetohydrazide
SMILESC/C=C/CNNC(C)=O
InChIInChI=1S/C6H12N2O/c1-3-4-5-7-8-6(2)9/h3-4,7H,5H2,1-2H3,(H,8,9)/b4-3+
InChIKeyXPYDFRSGXVLVJD-ONEGZZNKSA-N
XLogP0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N'-[(E)-but-2-enyl]acetohydrazide?
The IUPAC name of N'-[(E)-but-2-enyl]acetohydrazide (CID 11018887) is N'-[(E)-but-2-enyl]acetohydrazide.
What is the SMILES notation for N'-[(E)-but-2-enyl]acetohydrazide?
The canonical SMILES for N'-[(E)-but-2-enyl]acetohydrazide is C/C=C/CNNC(C)=O.
What is the InChIKey of N'-[(E)-but-2-enyl]acetohydrazide?
The InChIKey is XPYDFRSGXVLVJD-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-5-7-8-6(2)9/h3-4,7H,5H2,1-2H3,(H,8,9)/b4-3+.
What are the key properties of N'-[(E)-but-2-enyl]acetohydrazide?
N'-[(E)-but-2-enyl]acetohydrazide has a molecular weight of 128.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-enyl]acetohydrazide is sourced from PubChem (CID 11018887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).