(E)-3-methyl-2-oxohex-4-enamide

C7H11NO2 — CID 147197281

IUPAC(E)-3-methyl-2-oxohex-4-enamide
SMILESC/C=C/C(C)C(=O)C(N)=O
InChIInChI=1S/C7H11NO2/c1-3-4-5(2)6(9)7(8)10/h3-5H,1-2H3,(H2,8,10)/b4-3+
InChIKeyCCPWETXUSPMEDF-ONEGZZNKSA-N
MW141.17 g/mol
LogP0.25
Rot. Bonds3

About (E)-3-methyl-2-oxohex-4-enamide

(E)-3-methyl-2-oxohex-4-enamide (PubChem CID 147197281) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (E)-3-methyl-2-oxohex-4-enamide.

Molecular Properties

Compound Name(E)-3-methyl-2-oxohex-4-enamide
PubChem CID147197281
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(E)-3-methyl-2-oxohex-4-enamide
SMILESC/C=C/C(C)C(=O)C(N)=O
InChIInChI=1S/C7H11NO2/c1-3-4-5(2)6(9)7(8)10/h3-5H,1-2H3,(H2,8,10)/b4-3+
InChIKeyCCPWETXUSPMEDF-ONEGZZNKSA-N
XLogP0.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpent-3-enehydrazide
CID 172737407
2-methylpent-3-enoyloxysulfanyl 2-methylpent-3-enoate
CID 91139961
ethyl 2-methylpent-3-enoate
CID 53428586
4-methylhepta-2,5-dienediamide
CID 54037507
butanoyl (E)-2-methylpent-3-eneperoxoate
CID 140796411
(E)-3-hydroxyhex-4-enamide
CID 11083908
(E,2S)-2-methyl-1-phenylpent-3-en-1-one
CID 129364114
dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
CID 71353603
[(E)-pent-3-en-2-yl] (E)-but-2-enoate
CID 14910863
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436
3-ethyl-2-oxopentanamide
CID 21120726
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-oxohex-4-enamide?
The IUPAC name of (E)-3-methyl-2-oxohex-4-enamide (CID 147197281) is (E)-3-methyl-2-oxohex-4-enamide.
What is the SMILES notation for (E)-3-methyl-2-oxohex-4-enamide?
The canonical SMILES for (E)-3-methyl-2-oxohex-4-enamide is C/C=C/C(C)C(=O)C(N)=O.
What is the InChIKey of (E)-3-methyl-2-oxohex-4-enamide?
The InChIKey is CCPWETXUSPMEDF-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5(2)6(9)7(8)10/h3-5H,1-2H3,(H2,8,10)/b4-3+.
What are the key properties of (E)-3-methyl-2-oxohex-4-enamide?
(E)-3-methyl-2-oxohex-4-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-oxohex-4-enamide is sourced from PubChem (CID 147197281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).