3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide

C6H5Br2NO — CID 130665491

IUPAC3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide
SMILESC=C(Br)CNC(=O)C#CBr
InChIInChI=1S/C6H5Br2NO/c1-5(8)4-9-6(10)2-3-7/h1,4H2,(H,9,10)
InChIKeySKHLVZBLHMVCHR-UHFFFAOYSA-N
MW266.92 g/mol
LogP1.37
Rot. Bonds2

About 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide

3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide (PubChem CID 130665491) has the molecular formula C6H5Br2NO and a molecular weight of 266.92 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide
PubChem CID130665491
Molecular FormulaC6H5Br2NO
Molecular Weight266.92 g/mol
Exact Mass264.87
IUPAC Name3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide
SMILESC=C(Br)CNC(=O)C#CBr
InChIInChI=1S/C6H5Br2NO/c1-5(8)4-9-6(10)2-3-7/h1,4H2,(H,9,10)
InChIKeySKHLVZBLHMVCHR-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide?
The IUPAC name of 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide (CID 130665491) is 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide?
The canonical SMILES for 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide is C=C(Br)CNC(=O)C#CBr.
What is the InChIKey of 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide?
The InChIKey is SKHLVZBLHMVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO/c1-5(8)4-9-6(10)2-3-7/h1,4H2,(H,9,10).
What are the key properties of 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide?
3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide has a molecular weight of 266.92 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide is sourced from PubChem (CID 130665491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).