2-ethylbut-3-enamide

C6H11NO — CID 57248287

IUPAC2-ethylbut-3-enamide
SMILESC=CC(CC)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-5(4-2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyBEBMTVPHAJLNHC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds3

About 2-ethylbut-3-enamide

2-ethylbut-3-enamide (PubChem CID 57248287) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethylbut-3-enamide.

Molecular Properties

Compound Name2-ethylbut-3-enamide
PubChem CID57248287
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethylbut-3-enamide
SMILESC=CC(CC)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-5(4-2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyBEBMTVPHAJLNHC-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.68
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

2-(1-Methylethyl)-4-pentenamide
CID 9297
Pent-4-enamide
CID 11815293
4-Pentenamide, 2-(2-propen-1-yl)-
CID 181288
3-Methylpent-4-enamide
CID 13110692
2-Cyclobutene-1-carboxamide
CID 543065
Allylmalonamide
CID 11105466
3,3-Dimethylpent-4-enamide
CID 53999915
Hex-4-enamide
CID 54203128
2-(Trifluoromethyl)pent-4-enamide
CID 87995660
2-Fluoro-2-methylpent-4-enamide
CID 167309544
(E)-hex-4-enamide
CID 10909533
(2R)-2-amino-2-methylpent-4-enamide
CID 10419200

Frequently Asked Questions

What is the IUPAC name of 2-ethylbut-3-enamide?
The IUPAC name of 2-ethylbut-3-enamide (CID 57248287) is 2-ethylbut-3-enamide.
What is the SMILES notation for 2-ethylbut-3-enamide?
The canonical SMILES for 2-ethylbut-3-enamide is C=CC(CC)C(N)=O.
What is the InChIKey of 2-ethylbut-3-enamide?
The InChIKey is BEBMTVPHAJLNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5(4-2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8).
What are the key properties of 2-ethylbut-3-enamide?
2-ethylbut-3-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbut-3-enamide is sourced from PubChem (CID 57248287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).