4-bromo-N-methoxy-N-methylpent-4-enamide

C7H12BrNO2 — CID 91756940

IUPAC4-bromo-N-methoxy-N-methylpent-4-enamide
SMILESC=C(Br)CCC(=O)N(C)OC
InChIInChI=1S/C7H12BrNO2/c1-6(8)4-5-7(10)9(2)11-3/h1,4-5H2,2-3H3
InChIKeyMLXIWBLEOSMHLW-UHFFFAOYSA-N
MW222.08 g/mol
LogP1.70
Rot. Bonds4

About 4-bromo-N-methoxy-N-methylpent-4-enamide

4-bromo-N-methoxy-N-methylpent-4-enamide (PubChem CID 91756940) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N-methylpent-4-enamide
PubChem CID91756940
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name4-bromo-N-methoxy-N-methylpent-4-enamide
SMILESC=C(Br)CCC(=O)N(C)OC
InChIInChI=1S/C7H12BrNO2/c1-6(8)4-5-7(10)9(2)11-3/h1,4-5H2,2-3H3
InChIKeyMLXIWBLEOSMHLW-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[methoxy(methyl)amino]-4-oxobutanoyl]azanide;palladium
CID 162387878
N-methoxy-N-methyl-4-oxononanamide
CID 121217701
N-methoxy-N-methylpropanamide
CID 11344007
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472
(Z)-N-methoxy-N-methylpent-3-enamide
CID 143446691
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643
N-methoxy-N,3-dimethylbutanamide
CID 10975620
2-(ethenylamino)-N-methoxy-N-methylacetamide
CID 134970802
4-chloro-N-methoxy-N-methyl-2-methylidenebutanamide
CID 155242180
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
1,3-dimethoxy-1,3-dimethylurea
CID 11159391

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N-methylpent-4-enamide?
The IUPAC name of 4-bromo-N-methoxy-N-methylpent-4-enamide (CID 91756940) is 4-bromo-N-methoxy-N-methylpent-4-enamide.
What is the SMILES notation for 4-bromo-N-methoxy-N-methylpent-4-enamide?
The canonical SMILES for 4-bromo-N-methoxy-N-methylpent-4-enamide is C=C(Br)CCC(=O)N(C)OC.
What is the InChIKey of 4-bromo-N-methoxy-N-methylpent-4-enamide?
The InChIKey is MLXIWBLEOSMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c1-6(8)4-5-7(10)9(2)11-3/h1,4-5H2,2-3H3.
What are the key properties of 4-bromo-N-methoxy-N-methylpent-4-enamide?
4-bromo-N-methoxy-N-methylpent-4-enamide has a molecular weight of 222.08 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-N-methylpent-4-enamide is sourced from PubChem (CID 91756940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).