N'-acetylprop-2-enehydrazide

C5H8N2O2 — CID 15120467

IUPACN'-acetylprop-2-enehydrazide
SMILESC=CC(=O)NNC(C)=O
InChIInChI=1S/C5H8N2O2/c1-3-5(9)7-6-4(2)8/h3H,1H2,2H3,(H,6,8)(H,7,9)
InChIKeyIZKUWTDESDNCCG-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.66
Rot. Bonds1

About N'-acetylprop-2-enehydrazide

N'-acetylprop-2-enehydrazide (PubChem CID 15120467) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N'-acetylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-acetylprop-2-enehydrazide
PubChem CID15120467
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN'-acetylprop-2-enehydrazide
SMILESC=CC(=O)NNC(C)=O
InChIInChI=1S/C5H8N2O2/c1-3-5(9)7-6-4(2)8/h3H,1H2,2H3,(H,6,8)(H,7,9)
InChIKeyIZKUWTDESDNCCG-UHFFFAOYSA-N
XLogP-0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N'-acetylprop-2-enehydrazide?
The IUPAC name of N'-acetylprop-2-enehydrazide (CID 15120467) is N'-acetylprop-2-enehydrazide.
What is the SMILES notation for N'-acetylprop-2-enehydrazide?
The canonical SMILES for N'-acetylprop-2-enehydrazide is C=CC(=O)NNC(C)=O.
What is the InChIKey of N'-acetylprop-2-enehydrazide?
The InChIKey is IZKUWTDESDNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-5(9)7-6-4(2)8/h3H,1H2,2H3,(H,6,8)(H,7,9).
What are the key properties of N'-acetylprop-2-enehydrazide?
N'-acetylprop-2-enehydrazide has a molecular weight of 128.13 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetylprop-2-enehydrazide is sourced from PubChem (CID 15120467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).