N-(3-bromopropyl)-2-methylprop-2-enamide

C7H12BrNO — CID 86134938

IUPACN-(3-bromopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCBr
InChIInChI=1S/C7H12BrNO/c1-6(2)7(10)9-5-3-4-8/h1,3-5H2,2H3,(H,9,10)
InChIKeyWGCSLOQFKOECAH-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.46
Rot. Bonds4

About N-(3-bromopropyl)-2-methylprop-2-enamide

N-(3-bromopropyl)-2-methylprop-2-enamide (PubChem CID 86134938) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-methylprop-2-enamide
PubChem CID86134938
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC NameN-(3-bromopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCBr
InChIInChI=1S/C7H12BrNO/c1-6(2)7(10)9-5-3-4-8/h1,3-5H2,2H3,(H,9,10)
InChIKeyWGCSLOQFKOECAH-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.46
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-icosyl-2-methylprop-2-enamide
CID 22336363
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
CID 175606829
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-bromopropyl)-2-methylprop-2-enamide (CID 86134938) is N-(3-bromopropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-bromopropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-bromopropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-methylprop-2-enamide?
The InChIKey is WGCSLOQFKOECAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-6(2)7(10)9-5-3-4-8/h1,3-5H2,2H3,(H,9,10).
What are the key properties of N-(3-bromopropyl)-2-methylprop-2-enamide?
N-(3-bromopropyl)-2-methylprop-2-enamide has a molecular weight of 206.08 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 86134938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).