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

C4H5Br2NO — CID 123739065

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

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

N-(2,3-dibromoprop-2-enyl)formamide (PubChem CID 123739065) has the molecular formula C4H5Br2NO and a molecular weight of 242.90 g/mol. Its IUPAC name is N-(2,3-dibromoprop-2-enyl)formamide.

Molecular Properties

Compound NameN-(2,3-dibromoprop-2-enyl)formamide
PubChem CID123739065
Molecular FormulaC4H5Br2NO
Molecular Weight242.90 g/mol
Exact Mass240.87
IUPAC NameN-(2,3-dibromoprop-2-enyl)formamide
SMILESO=CNCC(Br)=CBr
InChIInChI=1S/C4H5Br2NO/c5-1-4(6)2-7-3-8/h1,3H,2H2,(H,7,8)
InChIKeyPXPSSYJXUNKSPD-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dibromoprop-2-enyl)formamide?
The IUPAC name of N-(2,3-dibromoprop-2-enyl)formamide (CID 123739065) is N-(2,3-dibromoprop-2-enyl)formamide.
What is the SMILES notation for N-(2,3-dibromoprop-2-enyl)formamide?
The canonical SMILES for N-(2,3-dibromoprop-2-enyl)formamide is O=CNCC(Br)=CBr.
What is the InChIKey of N-(2,3-dibromoprop-2-enyl)formamide?
The InChIKey is PXPSSYJXUNKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2NO/c5-1-4(6)2-7-3-8/h1,3H,2H2,(H,7,8).
What are the key properties of N-(2,3-dibromoprop-2-enyl)formamide?
N-(2,3-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-(2,3-dibromoprop-2-enyl)formamide is sourced from PubChem (CID 123739065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).