N-(iodomethyl)-N,2-dimethylprop-2-enamide

C6H10INO — CID 146497620

IUPACN-(iodomethyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CI
InChIInChI=1S/C6H10INO/c1-5(2)6(9)8(3)4-7/h1,4H2,2-3H3
InChIKeyBOLUXJAVHVNYJG-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.41
Rot. Bonds2

About N-(iodomethyl)-N,2-dimethylprop-2-enamide

N-(iodomethyl)-N,2-dimethylprop-2-enamide (PubChem CID 146497620) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is N-(iodomethyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(iodomethyl)-N,2-dimethylprop-2-enamide
PubChem CID146497620
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC NameN-(iodomethyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CI
InChIInChI=1S/C6H10INO/c1-5(2)6(9)8(3)4-7/h1,4H2,2-3H3
InChIKeyBOLUXJAVHVNYJG-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
2-iodo-N-(iodomethyl)-N-methylacetamide
CID 148631357
2-[[methyl(2-methylprop-2-enoyl)amino]methyl]hexanoic acid
CID 91186254
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
CID 87504496
N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide
CID 21285723
N-(3-butyl-3-trimethylsilylheptyl)-N,2-dimethylprop-2-enamide
CID 59819360
N',N',2-trimethyl-N-prop-1-en-2-ylprop-2-enehydrazide
CID 15525104
2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(iodomethyl)-N,2-dimethylprop-2-enamide (CID 146497620) is N-(iodomethyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(iodomethyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(iodomethyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CI.
What is the InChIKey of N-(iodomethyl)-N,2-dimethylprop-2-enamide?
The InChIKey is BOLUXJAVHVNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-5(2)6(9)8(3)4-7/h1,4H2,2-3H3.
What are the key properties of N-(iodomethyl)-N,2-dimethylprop-2-enamide?
N-(iodomethyl)-N,2-dimethylprop-2-enamide has a molecular weight of 239.06 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 146497620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).