2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide

C7H9BrN2O2 — CID 149167321

IUPAC2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide
SMILESC=CC/N=C(\Br)C(=O)NC(C)=O
InChIInChI=1S/C7H9BrN2O2/c1-3-4-9-6(8)7(12)10-5(2)11/h3H,1,4H2,2H3,(H,10,11,12)/b9-6-
InChIKeyWYJHVOZZVPPHCA-TWGQIWQCSA-N
MW233.06 g/mol
LogP0.63
Rot. Bonds3

About 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide

2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide (PubChem CID 149167321) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide.

Molecular Properties

Compound Name2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide
PubChem CID149167321
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide
SMILESC=CC/N=C(\Br)C(=O)NC(C)=O
InChIInChI=1S/C7H9BrN2O2/c1-3-4-9-6(8)7(12)10-5(2)11/h3H,1,4H2,2H3,(H,10,11,12)/b9-6-
InChIKeyWYJHVOZZVPPHCA-TWGQIWQCSA-N
XLogP0.63
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(3-prop-2-enyliminopentan-2-ylidene)hydroxylamine
CID 137315976
(NZ)-N-(2-prop-2-enyliminopentan-3-ylidene)hydroxylamine
CID 136888442
diacetamido-bis(prop-2-enyl)azanium
CID 176837822
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
acetic acid;2-(dimethylamino)propanoic acid;1,1-dimethyl-2-prop-2-enylguanidine
CID 174401746
tris(N-acetylacetamide);gallane
CID 175572719
acetamido-dimethyl-prop-2-enylazanium chloride
CID 21429946
(E)-N-but-1-en-2-yl-2-methylbut-2-enamide
CID 166829652
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
N-hydroxy-2-methylhexa-2,5-dienamide
CID 173014431
N-carbamothioylacetamide;prop-2-enylthiourea
CID 174513700
N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide
CID 146639754

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide?
The IUPAC name of 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide (CID 149167321) is 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide.
What is the SMILES notation for 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide?
The canonical SMILES for 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide is C=CC/N=C(\Br)C(=O)NC(C)=O.
What is the InChIKey of 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide?
The InChIKey is WYJHVOZZVPPHCA-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-3-4-9-6(8)7(12)10-5(2)11/h3H,1,4H2,2H3,(H,10,11,12)/b9-6-.
What are the key properties of 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide?
2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide has a molecular weight of 233.06 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-oxo-N-prop-2-enylethanimidoyl bromide is sourced from PubChem (CID 149167321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).