N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide

C6H8BrNO — CID 167072027

IUPACN-[(E)-2-bromoethenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N/C=C/Br
InChIInChI=1S/C6H8BrNO/c1-5(2)6(9)8-4-3-7/h3-4H,1H2,2H3,(H,8,9)/b4-3+
InChIKeyBZVDYURNZVIKLA-ONEGZZNKSA-N
MW190.04 g/mol
LogP1.54
Rot. Bonds2

About N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide

N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide (PubChem CID 167072027) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-2-bromoethenyl]-2-methylprop-2-enamide
PubChem CID167072027
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC NameN-[(E)-2-bromoethenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N/C=C/Br
InChIInChI=1S/C6H8BrNO/c1-5(2)6(9)8-4-3-7/h3-4H,1H2,2H3,(H,8,9)/b4-3+
InChIKeyBZVDYURNZVIKLA-ONEGZZNKSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.54
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-methylprop-2-enoylamino)methylidenecarbamic acid
CID 54433982
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
CID 131883821
CID 131883821
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
N,2-dimethylprop-2-enamide;ethane
CID 142291054
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide (CID 167072027) is N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide is C=C(C)C(=O)N/C=C/Br.
What is the InChIKey of N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide?
The InChIKey is BZVDYURNZVIKLA-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-5(2)6(9)8-4-3-7/h3-4H,1H2,2H3,(H,8,9)/b4-3+.
What are the key properties of N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide?
N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide has a molecular weight of 190.04 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bromoethenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 167072027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).