(E)-3-methoxy-2-methylbut-2-enamide

C6H11NO2 — CID 55284643

IUPAC(E)-3-methoxy-2-methylbut-2-enamide
SMILESCO/C(C)=C(\C)C(N)=O
InChIInChI=1S/C6H11NO2/c1-4(6(7)8)5(2)9-3/h1-3H3,(H2,7,8)/b5-4+
InChIKeyQTPIGLJOZVLNRR-SNAWJCMRSA-N
MW129.16 g/mol
LogP0.41
Rot. Bonds2

About (E)-3-methoxy-2-methylbut-2-enamide

(E)-3-methoxy-2-methylbut-2-enamide (PubChem CID 55284643) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (E)-3-methoxy-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-methoxy-2-methylbut-2-enamide
PubChem CID55284643
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(E)-3-methoxy-2-methylbut-2-enamide
SMILESCO/C(C)=C(\C)C(N)=O
InChIInChI=1S/C6H11NO2/c1-4(6(7)8)5(2)9-3/h1-3H3,(H2,7,8)/b5-4+
InChIKeyQTPIGLJOZVLNRR-SNAWJCMRSA-N
XLogP0.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-dihydroxy-2-methylprop-2-enamide
CID 23369191
(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
prop-1-ene-1,1,2-tricarboxamide
CID 155668965
3,3-dihydrazinyl-2-methylprop-2-enamide
CID 163555683
methylurea;ruthenium
CID 159209634
methyl acetate;ruthenium
CID 160799101
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
[(Z)-1-hydroxy-3-methoxy-2-methylbut-2-enylidene]chromium
CID 10984817
acetamide
CID 139024037
(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
CID 90151676
3-chloro-4-methoxypent-3-en-2-one
CID 522222
3-(dimethylamino)-2-methylbut-2-enamide
CID 140503837

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-2-methylbut-2-enamide?
The IUPAC name of (E)-3-methoxy-2-methylbut-2-enamide (CID 55284643) is (E)-3-methoxy-2-methylbut-2-enamide.
What is the SMILES notation for (E)-3-methoxy-2-methylbut-2-enamide?
The canonical SMILES for (E)-3-methoxy-2-methylbut-2-enamide is CO/C(C)=C(\C)C(N)=O.
What is the InChIKey of (E)-3-methoxy-2-methylbut-2-enamide?
The InChIKey is QTPIGLJOZVLNRR-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(6(7)8)5(2)9-3/h1-3H3,(H2,7,8)/b5-4+.
What are the key properties of (E)-3-methoxy-2-methylbut-2-enamide?
(E)-3-methoxy-2-methylbut-2-enamide has a molecular weight of 129.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-2-methylbut-2-enamide is sourced from PubChem (CID 55284643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).