N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide

C9H15N3O3 — CID 84572327

IUPACN-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)NNC(C)=O)C(C)=O
InChIInChI=1S/C9H15N3O3/c1-4-5-12(8(3)14)6-9(15)11-10-7(2)13/h4H,1,5-6H2,2-3H3,(H,10,13)(H,11,15)
InChIKeyIBJFQTIHDBGIKD-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.81
Rot. Bonds4

About N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide

N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide (PubChem CID 84572327) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide
PubChem CID84572327
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)NNC(C)=O)C(C)=O
InChIInChI=1S/C9H15N3O3/c1-4-5-12(8(3)14)6-9(15)11-10-7(2)13/h4H,1,5-6H2,2-3H3,(H,10,13)(H,11,15)
InChIKeyIBJFQTIHDBGIKD-UHFFFAOYSA-N
XLogP-0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide 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 N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide (CID 84572327) is N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide is C=CCN(CC(=O)NNC(C)=O)C(C)=O.
What is the InChIKey of N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide?
The InChIKey is IBJFQTIHDBGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-5-12(8(3)14)6-9(15)11-10-7(2)13/h4H,1,5-6H2,2-3H3,(H,10,13)(H,11,15).
What are the key properties of N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide?
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide has a molecular weight of 213.24 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 84572327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).