3-methylbut-2-enamide

C5H9NO — CID 20560

IUPAC3-methylbut-2-enamide
SMILESCC(C)=CC(N)=O
InChIInChI=1S/C5H9NO/c1-4(2)3-5(6)7/h3H,1-2H3,(H2,6,7)
InChIKeyWHNPOQXWAMXPTA-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.44
Rot. Bonds1

About 3-methylbut-2-enamide

3-methylbut-2-enamide (PubChem CID 20560) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-methylbut-2-enamide.

Molecular Properties

Compound Name3-methylbut-2-enamide
PubChem CID20560
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-methylbut-2-enamide
SMILESCC(C)=CC(N)=O
InChIInChI=1S/C5H9NO/c1-4(2)3-5(6)7/h3H,1-2H3,(H2,6,7)
InChIKeyWHNPOQXWAMXPTA-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Butenamide
CID 5354487
(2E)-2-methylbut-2-enamide
CID 6367959
cis-2-Butenoic acid amide
CID 5463109
But-2-enamide
CID 31877
Methylmethacrylamide
CID 315394
Angelic acid amide
CID 5784553
Citraconamide
CID 643944
2-Methyl-2-butenediamide
CID 239164
Dimethyl methyl acrylamide
CID 15178391
Diethylacrylamide
CID 24840945
(E)-4,4,4-trifluoro-3-methylbut-2-enamide
CID 89976286
4,4,4-Trifluoro-3-methylbut-2-enamide
CID 124019731

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enamide?
The IUPAC name of 3-methylbut-2-enamide (CID 20560) is 3-methylbut-2-enamide.
What is the SMILES notation for 3-methylbut-2-enamide?
The canonical SMILES for 3-methylbut-2-enamide is CC(C)=CC(N)=O.
What is the InChIKey of 3-methylbut-2-enamide?
The InChIKey is WHNPOQXWAMXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4(2)3-5(6)7/h3H,1-2H3,(H2,6,7).
What are the key properties of 3-methylbut-2-enamide?
3-methylbut-2-enamide has a molecular weight of 99.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enamide is sourced from PubChem (CID 20560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).