2-bromo-2-methyl-N-prop-2-ynoxypropanamide

C7H10BrNO2 — CID 130627561

IUPAC2-bromo-2-methyl-N-prop-2-ynoxypropanamide
SMILESC#CCONC(=O)C(C)(C)Br
InChIInChI=1S/C7H10BrNO2/c1-4-5-11-9-6(10)7(2,3)8/h1H,5H2,2-3H3,(H,9,10)
InChIKeyGFNWRMBIUAHXRD-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.84
Rot. Bonds3

About 2-bromo-2-methyl-N-prop-2-ynoxypropanamide

2-bromo-2-methyl-N-prop-2-ynoxypropanamide (PubChem CID 130627561) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-prop-2-ynoxypropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-prop-2-ynoxypropanamide
PubChem CID130627561
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name2-bromo-2-methyl-N-prop-2-ynoxypropanamide
SMILESC#CCONC(=O)C(C)(C)Br
InChIInChI=1S/C7H10BrNO2/c1-4-5-11-9-6(10)7(2,3)8/h1H,5H2,2-3H3,(H,9,10)
InChIKeyGFNWRMBIUAHXRD-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methoxy-2-methylpropanamide
CID 114328794
2-bromo-N-ethoxy-2-methylpropanamide
CID 89867395
2-bromo-N-butoxy-2-methylpropanamide
CID 117718711
2-bromo-N-(2-methylpropoxy)propanamide
CID 107905622
2-bromo-2-methyl-N-(2-methylpropoxy)propanamide
CID 114329016
2-bromo-N-(2-methoxyethoxy)-2-methylpropanamide
CID 114329018
3-bromo-N-(2-methylpropoxy)prop-2-ynamide
CID 131002491
2-bromo-2-methyl-N-propan-2-yloxypropanamide
CID 131182028

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-prop-2-ynoxypropanamide?
The IUPAC name of 2-bromo-2-methyl-N-prop-2-ynoxypropanamide (CID 130627561) is 2-bromo-2-methyl-N-prop-2-ynoxypropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-prop-2-ynoxypropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-prop-2-ynoxypropanamide is C#CCONC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-prop-2-ynoxypropanamide?
The InChIKey is GFNWRMBIUAHXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-4-5-11-9-6(10)7(2,3)8/h1H,5H2,2-3H3,(H,9,10).
What are the key properties of 2-bromo-2-methyl-N-prop-2-ynoxypropanamide?
2-bromo-2-methyl-N-prop-2-ynoxypropanamide has a molecular weight of 220.07 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-prop-2-ynoxypropanamide is sourced from PubChem (CID 130627561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).