trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide

C10H20INO — CID 118719154

IUPACtrimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide
SMILESCC1C[C@H](C[N+](C)(C)C)CC1=O.[I-]
InChIInChI=1S/C10H20NO.HI/c1-8-5-9(6-10(8)12)7-11(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8?,9-;/m0./s1
InChIKeyAKLSSUIJBXEDMB-MTFPJWTKSA-M
MW297.18 g/mol
LogP-1.69
Rot. Bonds2

About trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide

trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide (PubChem CID 118719154) has the molecular formula C10H20INO and a molecular weight of 297.18 g/mol. Its IUPAC name is trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide
PubChem CID118719154
Molecular FormulaC10H20INO
Molecular Weight297.18 g/mol
Exact Mass297.06
IUPAC Nametrimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide
SMILESCC1C[C@H](C[N+](C)(C)C)CC1=O.[I-]
InChIInChI=1S/C10H20NO.HI/c1-8-5-9(6-10(8)12)7-11(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8?,9-;/m0./s1
InChIKeyAKLSSUIJBXEDMB-MTFPJWTKSA-M
XLogP-1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-chloropentane;4-ethyl-2-methylcyclopentan-1-one
CID 174399019
(1S,4R,6R)-4-methylbicyclo[4.1.0]heptan-3-one;propane
CID 159416985
(2S,4R,5R)-4,5-dihydroxy-2-methylcyclohexan-1-one
CID 131160826
trimethyl-[[(1R)-2-oxocyclopentyl]methyl]azanium iodide
CID 53298307
(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
CID 130612042
(1R,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
CID 131020797
(1S,2S,5R,7S,8R)-5-methyltricyclo[6.2.1.02,7]undecan-4-one
CID 11869761
trans-(2S,5S)-5-(benzenesulfonylmethyl)-2-methylcyclohexan-1-one
CID 101223012
(5,5-dimethyl-2-oxocyclohexyl)methyl-trimethylazanium iodide
CID 90156848
(3aR,6R,7aS)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one
CID 89321241
N,N,3-trimethyl-4-oxocyclopentane-1-carboxamide
CID 71442109
(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)methyl-trimethylazanium iodide
CID 10615132

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide?
The IUPAC name of trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide (CID 118719154) is trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide.
What is the SMILES notation for trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide?
The canonical SMILES for trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide is CC1C[C@H](C[N+](C)(C)C)CC1=O.[I-].
What is the InChIKey of trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide?
The InChIKey is AKLSSUIJBXEDMB-MTFPJWTKSA-M. The full InChI is InChI=1S/C10H20NO.HI/c1-8-5-9(6-10(8)12)7-11(2,3)4;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8?,9-;/m0./s1.
What are the key properties of trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide?
trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide has a molecular weight of 297.18 g/mol, XLogP of -1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S)-3-methyl-4-oxocyclopentyl]methyl]azanium iodide is sourced from PubChem (CID 118719154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).