2-bromo-2-methyl-N-prop-2-ynylpropanamide

C7H10BrNO — CID 101481850

IUPAC2-bromo-2-methyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)Br
InChIInChI=1S/C7H10BrNO/c1-4-5-9-6(10)7(2,3)8/h1H,5H2,2-3H3,(H,9,10)
InChIKeyXLCSZMQUAFTIMW-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.91
Rot. Bonds2

About 2-bromo-2-methyl-N-prop-2-ynylpropanamide

2-bromo-2-methyl-N-prop-2-ynylpropanamide (PubChem CID 101481850) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-prop-2-ynylpropanamide
PubChem CID101481850
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name2-bromo-2-methyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)Br
InChIInChI=1S/C7H10BrNO/c1-4-5-9-6(10)7(2,3)8/h1H,5H2,2-3H3,(H,9,10)
InChIKeyXLCSZMQUAFTIMW-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-but-3-ynyl-2-methylpropanamide
CID 114328738
2-bromo-2-methyl-N-pent-4-ynylpropanamide
CID 106220855
2,2-difluoro-N-prop-2-ynylpropanamide
CID 126994443
2-bromo-N-but-2-ynyl-2-methylpropanamide
CID 114329133
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
2-hydroxy-2,2-diphenyl-N-prop-2-ynylacetamide
CID 15023456
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
2-bromo-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 114328988
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-bromo-2-methyl-N-prop-2-ynylpropanamide (CID 101481850) is 2-bromo-2-methyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-prop-2-ynylpropanamide?
The InChIKey is XLCSZMQUAFTIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4-5-9-6(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-ynylpropanamide?
2-bromo-2-methyl-N-prop-2-ynylpropanamide has a molecular weight of 204.07 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 101481850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).