N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide

C8H12INO — CID 58853085

IUPACN-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide
SMILESCC(=O)N[C@@]1(C)CC/C1=C\I
InChIInChI=1S/C8H12INO/c1-6(11)10-8(2)4-3-7(8)5-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-5+/t8-/m0/s1
InChIKeyVMLYMBDJSONGHJ-IVGLGHLBSA-N
MW265.09 g/mol
LogP1.99
Rot. Bonds1

About N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide

N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide (PubChem CID 58853085) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide
PubChem CID58853085
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC NameN-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide
SMILESCC(=O)N[C@@]1(C)CC/C1=C\I
InChIInChI=1S/C8H12INO/c1-6(11)10-8(2)4-3-7(8)5-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-5+/t8-/m0/s1
InChIKeyVMLYMBDJSONGHJ-IVGLGHLBSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-oxooxan-3-yl)acetamide
CID 54276276
N-(3-methyl-2-oxooxolan-3-yl)acetamide
CID 551291
lithium;sodium;(1S)-1-amino-2-((123I)iodomethylidene)cyclobutane-1-carboxylic acid;butane;hydrogen peroxide;N-[(1S)-2-hydroxy-1-methylcyclobutyl]acetamide;iodine-123(1-);N-[(1S)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide;N-[(1S)-2-((123I)iodomethylidene)-1-methylcyclobutyl]acetamide;methane;N-[(1S)-1-methyl-2-oxocyclobutyl]acetamide;N-[(1S)-1-methyl-2-(trimethylstannylmethylidene)cyclobutyl]acetamide
CID 160817333
N-(3-methyl-2-oxoazetidin-3-yl)acetamide
CID 105428339
N-(4-methyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 118411518
1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
CID 13429439
(1S,3E)-3-(bromomethylidene)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 7140213
methyl 1-acetamido-4-oxocyclohexane-1-carboxylate
CID 10584690
N-(2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl)acetamide
CID 15226169
N-(1-ethylcyclopropyl)acetamide
CID 67691252
N-(1-acetylcyclobutyl)acetamide
CID 59658507
N-(3-methylthiolan-3-yl)acetamide
CID 129016909

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide?
The IUPAC name of N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide (CID 58853085) is N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide.
What is the SMILES notation for N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide?
The canonical SMILES for N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide is CC(=O)N[C@@]1(C)CC/C1=C\I.
What is the InChIKey of N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide?
The InChIKey is VMLYMBDJSONGHJ-IVGLGHLBSA-N. The full InChI is InChI=1S/C8H12INO/c1-6(11)10-8(2)4-3-7(8)5-9/h5H,3-4H2,1-2H3,(H,10,11)/b7-5+/t8-/m0/s1.
What are the key properties of N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide?
N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide has a molecular weight of 265.09 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2E)-2-(iodomethylidene)-1-methylcyclobutyl]acetamide is sourced from PubChem (CID 58853085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).