N-(3,3-dibromoprop-2-enyl)formamide

C4H5Br2NO — CID 87289076

IUPACN-(3,3-dibromoprop-2-enyl)formamide
SMILESO=CNCC=C(Br)Br
InChIInChI=1S/C4H5Br2NO/c5-4(6)1-2-7-3-8/h1,3H,2H2,(H,7,8)
InChIKeyMUHJBKPMLDFLRO-UHFFFAOYSA-N
MW242.90 g/mol
LogP1.36
Rot. Bonds3

About N-(3,3-dibromoprop-2-enyl)formamide

N-(3,3-dibromoprop-2-enyl)formamide (PubChem CID 87289076) has the molecular formula C4H5Br2NO and a molecular weight of 242.90 g/mol. Its IUPAC name is N-(3,3-dibromoprop-2-enyl)formamide.

Molecular Properties

Compound NameN-(3,3-dibromoprop-2-enyl)formamide
PubChem CID87289076
Molecular FormulaC4H5Br2NO
Molecular Weight242.90 g/mol
Exact Mass240.87
IUPAC NameN-(3,3-dibromoprop-2-enyl)formamide
SMILESO=CNCC=C(Br)Br
InChIInChI=1S/C4H5Br2NO/c5-4(6)1-2-7-3-8/h1,3H,2H2,(H,7,8)
InChIKeyMUHJBKPMLDFLRO-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.90
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,3-dibromoprop-2-enyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dibromoprop-2-enyl)formamide?
The IUPAC name of N-(3,3-dibromoprop-2-enyl)formamide (CID 87289076) is N-(3,3-dibromoprop-2-enyl)formamide.
What is the SMILES notation for N-(3,3-dibromoprop-2-enyl)formamide?
The canonical SMILES for N-(3,3-dibromoprop-2-enyl)formamide is O=CNCC=C(Br)Br.
What is the InChIKey of N-(3,3-dibromoprop-2-enyl)formamide?
The InChIKey is MUHJBKPMLDFLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2NO/c5-4(6)1-2-7-3-8/h1,3H,2H2,(H,7,8).
What are the key properties of N-(3,3-dibromoprop-2-enyl)formamide?
N-(3,3-dibromoprop-2-enyl)formamide has a molecular weight of 242.90 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dibromoprop-2-enyl)formamide is sourced from PubChem (CID 87289076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).