(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide

C9H7BrN2O3 — CID 91679777

IUPAC(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H7BrN2O3/c10-7-3-6(1-2-9(11)13)4-8(5-7)12(14)15/h1-5H,(H2,11,13)/b2-1-
InChIKeyLIQGABRBUJGOAE-UPHRSURJSA-N
MW271.07 g/mol
LogP1.86
Rot. Bonds3

About (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide

(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide (PubChem CID 91679777) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide
PubChem CID91679777
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H7BrN2O3/c10-7-3-6(1-2-9(11)13)4-8(5-7)12(14)15/h1-5H,(H2,11,13)/b2-1-
InChIKeyLIQGABRBUJGOAE-UPHRSURJSA-N
XLogP1.86
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
3-(3-nitrophenyl)prop-2-enamide
CID 692292
(E)-3-(3-bromo-5-nitrophenyl)prop-2-en-1-ol
CID 91679783
(E)-3-(3-bromo-5-nitrophenyl)-2-methylprop-2-enal
CID 91679781
3-bromo-5-nitrobenzaldehyde;methoxymethane
CID 176928747
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
1-bromo-3-fluoro-5-nitrobenzene;methyl (E)-3-(3-fluoro-5-nitrophenyl)prop-2-enoate;methyl prop-2-enoate
CID 159284489
(E)-3-(3-chloro-5-nitrophenyl)prop-2-enoic acid
CID 21404179
(E)-3-(3-hydroxy-4-nitrophenyl)prop-2-enamide
CID 21184793
3-bromo-5-nitroaniline;hydrochloride
CID 112756585
ethyl 3-(3-fluoro-5-nitrophenyl)prop-2-enoate
CID 169480658
3-(2-cyanoethenyl)-5-nitrobenzamide
CID 169484216

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide (CID 91679777) is (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide is NC(=O)/C=C\c1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide?
The InChIKey is LIQGABRBUJGOAE-UPHRSURJSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-7-3-6(1-2-9(11)13)4-8(5-7)12(14)15/h1-5H,(H2,11,13)/b2-1-.
What are the key properties of (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide?
(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide has a molecular weight of 271.07 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 91679777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).