penta-3,4-dienamide

C5H7NO — CID 56982769

IUPACpenta-3,4-dienamide
SMILESC=C=CCC(N)=O
InChIInChI=1S/C5H7NO/c1-2-3-4-5(6)7/h3H,1,4H2,(H2,6,7)
InChIKeyMHCQAYAKDVMFAL-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.20
Rot. Bonds2

About penta-3,4-dienamide

penta-3,4-dienamide (PubChem CID 56982769) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is penta-3,4-dienamide.

Molecular Properties

Compound Namepenta-3,4-dienamide
PubChem CID56982769
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Namepenta-3,4-dienamide
SMILESC=C=CCC(N)=O
InChIInChI=1S/C5H7NO/c1-2-3-4-5(6)7/h3H,1,4H2,(H2,6,7)
InChIKeyMHCQAYAKDVMFAL-UHFFFAOYSA-N
XLogP0.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butenamide
CID 541483
2-Fluorobut-3-enamide
CID 135027141
4-Oxobut-3-enamide
CID 53773589
N-fluorobut-3-enamide
CID 23039282
4-Fluorobut-3-enamide
CID 53664457
3-Fluorobut-3-enamide
CID 148731670
N-chlorobut-3-enamide
CID 18784340
But-3-enamide;ethene
CID 20286824
2-Methyl-4-oxobut-3-enamide
CID 54239679
But-3-enamide;hydrochloride
CID 87244205
CID 161742886
CID 161742886
But-3-enamide;ruthenium
CID 162259473

Frequently Asked Questions

What is the IUPAC name of penta-3,4-dienamide?
The IUPAC name of penta-3,4-dienamide (CID 56982769) is penta-3,4-dienamide.
What is the SMILES notation for penta-3,4-dienamide?
The canonical SMILES for penta-3,4-dienamide is C=C=CCC(N)=O.
What is the InChIKey of penta-3,4-dienamide?
The InChIKey is MHCQAYAKDVMFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h3H,1,4H2,(H2,6,7).
What are the key properties of penta-3,4-dienamide?
penta-3,4-dienamide has a molecular weight of 97.12 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for penta-3,4-dienamide is sourced from PubChem (CID 56982769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).