3-bromo-N-(2-methylpropoxy)prop-2-ynamide

C7H10BrNO2 — CID 131002491

IUPAC3-bromo-N-(2-methylpropoxy)prop-2-ynamide
SMILESCC(C)CONC(=O)C#CBr
InChIInChI=1S/C7H10BrNO2/c1-6(2)5-11-9-7(10)3-4-8/h6H,5H2,1-2H3,(H,9,10)
InChIKeyOXSCDSRLCQMPFY-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.05
Rot. Bonds3

About 3-bromo-N-(2-methylpropoxy)prop-2-ynamide

3-bromo-N-(2-methylpropoxy)prop-2-ynamide (PubChem CID 131002491) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 3-bromo-N-(2-methylpropoxy)prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylpropoxy)prop-2-ynamide
PubChem CID131002491
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name3-bromo-N-(2-methylpropoxy)prop-2-ynamide
SMILESCC(C)CONC(=O)C#CBr
InChIInChI=1S/C7H10BrNO2/c1-6(2)5-11-9-7(10)3-4-8/h6H,5H2,1-2H3,(H,9,10)
InChIKeyOXSCDSRLCQMPFY-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylpropoxy)prop-2-ynamide?
The IUPAC name of 3-bromo-N-(2-methylpropoxy)prop-2-ynamide (CID 131002491) is 3-bromo-N-(2-methylpropoxy)prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-(2-methylpropoxy)prop-2-ynamide?
The canonical SMILES for 3-bromo-N-(2-methylpropoxy)prop-2-ynamide is CC(C)CONC(=O)C#CBr.
What is the InChIKey of 3-bromo-N-(2-methylpropoxy)prop-2-ynamide?
The InChIKey is OXSCDSRLCQMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-6(2)5-11-9-7(10)3-4-8/h6H,5H2,1-2H3,(H,9,10).
What are the key properties of 3-bromo-N-(2-methylpropoxy)prop-2-ynamide?
3-bromo-N-(2-methylpropoxy)prop-2-ynamide has a molecular weight of 220.07 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylpropoxy)prop-2-ynamide is sourced from PubChem (CID 131002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).