N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide

C7H12BrNO — CID 174609591

IUPACN-bromo-2-methyl-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)N(Br)C(=O)C(C)C
InChIInChI=1S/C7H12BrNO/c1-5(2)7(10)9(8)6(3)4/h5H,3H2,1-2,4H3
InChIKeyYQKSPONCRULWQG-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.31
Rot. Bonds2

About N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide

N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide (PubChem CID 174609591) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide.

Molecular Properties

Compound NameN-bromo-2-methyl-N-prop-1-en-2-ylpropanamide
PubChem CID174609591
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC NameN-bromo-2-methyl-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)N(Br)C(=O)C(C)C
InChIInChI=1S/C7H12BrNO/c1-5(2)7(10)9(8)6(3)4/h5H,3H2,1-2,4H3
InChIKeyYQKSPONCRULWQG-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
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N,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 130225205
N,N-dimethanidyl-2-methylpropanamide;ethane;tungsten(2+)
CID 157427240
formaldehyde;2-methylpropane;propan-2-one
CID 157476549
(E)-3,5-dimethyl-4-methylidenehex-2-enoic acid
CID 159434204
N-(2-methylpropyl)-N-prop-1-en-2-ylacetamide
CID 166860260
N,2,3-trimethyl-N-silylbut-3-enamide
CID 173370539
N,N,3-trimethyl-2-methylidenebutanamide
CID 57080569
2-methyl-N-(2-methylprop-1-enyl)-N-prop-2-enylpropanamide
CID 15063974
2,8-dimethylnon-1-en-5-one
CID 114473507

Frequently Asked Questions

What is the IUPAC name of N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide?
The IUPAC name of N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide (CID 174609591) is N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide.
What is the SMILES notation for N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide?
The canonical SMILES for N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide is C=C(C)N(Br)C(=O)C(C)C.
What is the InChIKey of N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide?
The InChIKey is YQKSPONCRULWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-5(2)7(10)9(8)6(3)4/h5H,3H2,1-2,4H3.
What are the key properties of N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide?
N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide has a molecular weight of 206.08 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2-methyl-N-prop-1-en-2-ylpropanamide is sourced from PubChem (CID 174609591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).