(Z)-3-(3-bromophenyl)prop-2-enamide

C9H8BrNO — CID 11775854

IUPAC(Z)-3-(3-bromophenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cccc(Br)c1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H2,11,12)/b5-4-
InChIKeyPIGPCZZJBZXVBF-PLNGDYQASA-N
MW226.07 g/mol
LogP1.95
Rot. Bonds2

About (Z)-3-(3-bromophenyl)prop-2-enamide

(Z)-3-(3-bromophenyl)prop-2-enamide (PubChem CID 11775854) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (Z)-3-(3-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-bromophenyl)prop-2-enamide
PubChem CID11775854
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(Z)-3-(3-bromophenyl)prop-2-enamide
SMILESNC(=O)/C=C\c1cccc(Br)c1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H2,11,12)/b5-4-
InChIKeyPIGPCZZJBZXVBF-PLNGDYQASA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.95
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

(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
diazanium bis((E)-3-(3-bromophenyl)prop-2-enoate)
CID 139145618
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
(Z)-3-(3-iodophenyl)prop-2-enamide
CID 131504945
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754
5-(3-bromophenyl)-3-oxopent-4-enoic acid
CID 56997242
(Z)-3-(3-pyrrol-1-ylphenyl)prop-2-enamide
CID 170876867
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
methyl 4-(3-bromophenyl)-2-oxobut-3-enoate
CID 70700454

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-bromophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-bromophenyl)prop-2-enamide (CID 11775854) is (Z)-3-(3-bromophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-bromophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-bromophenyl)prop-2-enamide is NC(=O)/C=C\c1cccc(Br)c1.
What is the InChIKey of (Z)-3-(3-bromophenyl)prop-2-enamide?
The InChIKey is PIGPCZZJBZXVBF-PLNGDYQASA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H2,11,12)/b5-4-.
What are the key properties of (Z)-3-(3-bromophenyl)prop-2-enamide?
(Z)-3-(3-bromophenyl)prop-2-enamide has a molecular weight of 226.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-bromophenyl)prop-2-enamide is sourced from PubChem (CID 11775854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).