pent-4-enamide

C5H9NO — CID 11815293

IUPACpent-4-enamide
SMILESC=CCCC(N)=O
InChIInChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)
InChIKeyDVFGVGYKHMQZJC-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.44
Rot. Bonds3

About pent-4-enamide

pent-4-enamide (PubChem CID 11815293) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is pent-4-enamide.

Molecular Properties

Compound Namepent-4-enamide
PubChem CID11815293
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Namepent-4-enamide
SMILESC=CCCC(N)=O
InChIInChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)
InChIKeyDVFGVGYKHMQZJC-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Butenamide
CID 541483
3-Methylpent-4-enamide
CID 13110692
(E)-oct-4-enamide
CID 11378544
5-Hexenamide
CID 10080368
Hept-6-enamide
CID 17824890
Oct-4-enamide
CID 53432400
2-Ethylbut-3-enamide
CID 57248287
Hex-4-enamide
CID 54203128
(E)-hex-4-enamide
CID 10909533
N-phosphanylpent-4-enamide
CID 164680858
CID 102587061
CID 102587061
4-Fluoropent-4-enamide
CID 176581597

Frequently Asked Questions

What is the IUPAC name of pent-4-enamide?
The IUPAC name of pent-4-enamide (CID 11815293) is pent-4-enamide.
What is the SMILES notation for pent-4-enamide?
The canonical SMILES for pent-4-enamide is C=CCCC(N)=O.
What is the InChIKey of pent-4-enamide?
The InChIKey is DVFGVGYKHMQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7).
What are the key properties of pent-4-enamide?
pent-4-enamide has a molecular weight of 99.13 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enamide is sourced from PubChem (CID 11815293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).