(2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide

C7H9BrN2O — CID 143996514

IUPAC(2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide
SMILESC=C(Br)/C=C(\C(=C)N)C(N)=O
InChIInChI=1S/C7H9BrN2O/c1-4(8)3-6(5(2)9)7(10)11/h3H,1-2,9H2,(H2,10,11)/b6-3+
InChIKeyRIWKNQDXLQGCIZ-ZZXKWVIFSA-N
MW217.07 g/mol
LogP0.78
Rot. Bonds3

About (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide

(2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide (PubChem CID 143996514) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide
PubChem CID143996514
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name(2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide
SMILESC=C(Br)/C=C(\C(=C)N)C(N)=O
InChIInChI=1S/C7H9BrN2O/c1-4(8)3-6(5(2)9)7(10)11/h3H,1-2,9H2,(H2,10,11)/b6-3+
InChIKeyRIWKNQDXLQGCIZ-ZZXKWVIFSA-N
XLogP0.78
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-5-bromo-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 143571697
2-aminoprop-2-enamide
CID 3332061
(2E)-4-bromo-2-(1-methoxyethenyl)penta-2,4-dienoic acid
CID 168943450
(3E)-2-bromo-5-methylidenehepta-1,3,6-trien-4-amine
CID 155582876
2-aminoprop-2-enamide;prop-2-enoic acid
CID 173105989
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274
(Z)-4-amino-2-carbamoyl-4-oxobut-2-enoic acid
CID 22748582
2,3-dibromobut-2-enediamide
CID 54524893
ethene-1,1-diol;prop-2-enamide
CID 174658864
(2E)-2-(1-aminoethenyl)-4-nitropenta-2,4-dienoic acid
CID 156802386
2-methyl-4-methylidenehex-2-enamide
CID 123970755
prop-2-enamide;ruthenium
CID 90254548

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide?
The IUPAC name of (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide (CID 143996514) is (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide?
The canonical SMILES for (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide is C=C(Br)/C=C(\C(=C)N)C(N)=O.
What is the InChIKey of (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide?
The InChIKey is RIWKNQDXLQGCIZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-4(8)3-6(5(2)9)7(10)11/h3H,1-2,9H2,(H2,10,11)/b6-3+.
What are the key properties of (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide?
(2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide has a molecular weight of 217.07 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-aminoethenyl)-4-bromopenta-2,4-dienamide is sourced from PubChem (CID 143996514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).