penta-2,3-dienediamide

C5H6N2O2 — CID 176532064

IUPACpenta-2,3-dienediamide
SMILESNC(=O)C=C=CC(N)=O
InChIInChI=1S/C5H6N2O2/c6-4(8)2-1-3-5(7)9/h2-3H,(H2,6,8)(H2,7,9)
InChIKeyOGTRETPTYSTMET-UHFFFAOYSA-N
MW126.11 g/mol
LogP-1.33
Rot. Bonds2

About penta-2,3-dienediamide

penta-2,3-dienediamide (PubChem CID 176532064) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is penta-2,3-dienediamide.

Molecular Properties

Compound Namepenta-2,3-dienediamide
PubChem CID176532064
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Namepenta-2,3-dienediamide
SMILESNC(=O)C=C=CC(N)=O
InChIInChI=1S/C5H6N2O2/c6-4(8)2-1-3-5(7)9/h2-3H,(H2,6,8)(H2,7,9)
InChIKeyOGTRETPTYSTMET-UHFFFAOYSA-N
XLogP-1.33
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze penta-2,3-dienediamide with MolForge

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

Launch Full Analysis

Related Compounds

3-sulfanylideneprop-2-enamide
CID 18469785
3-diazoprop-2-enamide;ethanol
CID 88686164
diamino(113C)methanone
CID 636363
prop-2-enamide;ruthenium
CID 90254548
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
4-amino-3-(aminomethyl)but-2-enamide
CID 88783257
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
CID 175387410
CID 175387410
potassium;prop-2-enamide;chloride
CID 161245795
propanediamide
CID 7911

Frequently Asked Questions

What is the IUPAC name of penta-2,3-dienediamide?
The IUPAC name of penta-2,3-dienediamide (CID 176532064) is penta-2,3-dienediamide.
What is the SMILES notation for penta-2,3-dienediamide?
The canonical SMILES for penta-2,3-dienediamide is NC(=O)C=C=CC(N)=O.
What is the InChIKey of penta-2,3-dienediamide?
The InChIKey is OGTRETPTYSTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-4(8)2-1-3-5(7)9/h2-3H,(H2,6,8)(H2,7,9).
What are the key properties of penta-2,3-dienediamide?
penta-2,3-dienediamide has a molecular weight of 126.11 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,3-dienediamide is sourced from PubChem (CID 176532064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).