2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide

C9H16BrNO — CID 114329139

IUPAC2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
SMILESC=CCC(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C9H16BrNO/c1-5-6-7(2)11-8(12)9(3,4)10/h5,7H,1,6H2,2-4H3,(H,11,12)
InChIKeyMJXNXRFUNHUADH-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.24
Rot. Bonds4

About 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide

2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide (PubChem CID 114329139) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
PubChem CID114329139
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
SMILESC=CCC(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C9H16BrNO/c1-5-6-7(2)11-8(12)9(3,4)10/h5,7H,1,6H2,2-4H3,(H,11,12)
InChIKeyMJXNXRFUNHUADH-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pent-4-en-2-ylcarbamic acid
CID 146626901
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
4-(pent-4-en-2-ylcarbamoylamino)benzoic acid
CID 113466795
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
N-pent-4-en-2-ylcyclopropanecarboxamide
CID 115631347
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl 3,3-dimethyl-2-(pent-4-en-2-ylcarbamoyl)butanoate
CID 116538291
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
CID 21366384
2-bromo-N-but-3-enyl-2-methylpropanamide
CID 114329137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide?
The IUPAC name of 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide (CID 114329139) is 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide is C=CCC(C)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide?
The InChIKey is MJXNXRFUNHUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-5-6-7(2)11-8(12)9(3,4)10/h5,7H,1,6H2,2-4H3,(H,11,12).
What are the key properties of 2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide?
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide has a molecular weight of 234.14 g/mol, XLogP of 2.24, 4 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-pent-4-en-2-ylpropanamide is sourced from PubChem (CID 114329139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).