2-bromo-N-but-3-enyl-2-methylpropanamide

C8H14BrNO — CID 114329137

IUPAC2-bromo-N-but-3-enyl-2-methylpropanamide
SMILESC=CCCNC(=O)C(C)(C)Br
InChIInChI=1S/C8H14BrNO/c1-4-5-6-10-7(11)8(2,3)9/h4H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyHOTOBHULCDWFNJ-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.85
Rot. Bonds4

About 2-bromo-N-but-3-enyl-2-methylpropanamide

2-bromo-N-but-3-enyl-2-methylpropanamide (PubChem CID 114329137) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-bromo-N-but-3-enyl-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-but-3-enyl-2-methylpropanamide
PubChem CID114329137
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-bromo-N-but-3-enyl-2-methylpropanamide
SMILESC=CCCNC(=O)C(C)(C)Br
InChIInChI=1S/C8H14BrNO/c1-4-5-6-10-7(11)8(2,3)9/h4H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyHOTOBHULCDWFNJ-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
2-bromo-N-but-3-enylpropanamide
CID 107905743
N-but-3-enyl-2-methylpropanamide
CID 3434507
N-but-3-enyl-2-iodoacetamide
CID 86212568
2-bromo-N-but-3-ynyl-2-methylpropanamide
CID 114328738
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2-bromo-N-(3-hydroxypentyl)-2-methylpropanamide
CID 89235308
2-bromo-2-methyl-N-pent-4-ynylpropanamide
CID 106220855
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
CID 114329139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-but-3-enyl-2-methylpropanamide?
The IUPAC name of 2-bromo-N-but-3-enyl-2-methylpropanamide (CID 114329137) is 2-bromo-N-but-3-enyl-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-but-3-enyl-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-but-3-enyl-2-methylpropanamide is C=CCCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-but-3-enyl-2-methylpropanamide?
The InChIKey is HOTOBHULCDWFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-4-5-6-10-7(11)8(2,3)9/h4H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of 2-bromo-N-but-3-enyl-2-methylpropanamide?
2-bromo-N-but-3-enyl-2-methylpropanamide has a molecular weight of 220.11 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-but-3-enyl-2-methylpropanamide is sourced from PubChem (CID 114329137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).