N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide

C10H16IN3O2 — CID 82748424

IUPACN,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide
SMILESCN(C(=O)n1cc[n+](C)c1)C1CCOC1.[I-]
InChIInChI=1S/C10H16N3O2.HI/c1-11-4-5-13(8-11)10(14)12(2)9-3-6-15-7-9;/h4-5,8-9H,3,6-7H2,1-2H3;1H/q+1;/p-1
InChIKeySQMNRJYVRANYMR-UHFFFAOYSA-M
MW337.16 g/mol
LogP-2.99
Rot. Bonds1

About N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide

N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide (PubChem CID 82748424) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide
PubChem CID82748424
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC NameN,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide
SMILESCN(C(=O)n1cc[n+](C)c1)C1CCOC1.[I-]
InChIInChI=1S/C10H16N3O2.HI/c1-11-4-5-13(8-11)10(14)12(2)9-3-6-15-7-9;/h4-5,8-9H,3,6-7H2,1-2H3;1H/q+1;/p-1
InChIKeySQMNRJYVRANYMR-UHFFFAOYSA-M
XLogP-2.99
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2r)-N,N-Dimethyl-4-(1-Methylimidazol-2-Yl)oxy-Butan-2-Amine
CID 70701321
4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
2-Imidazol-1-ylbutyl acetate
CID 44410441
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
(4S)-4-isopropyl-3-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 72841303
(4S)-3-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72905228
rac-(3R,4S)-4-(1H-imidazol-1-yl)oxolan-3-amine
CID 137943672
2-(dimethylamino)ethyl 1H-imidazole-1-carboxylate
CID 69937126
(3S)-3-ethyl-4-[4-(1H-imidazol-1-yl)butanoyl]morpholine
CID 70779579
2-ethoxy-1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 132319065
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
CID 81257025
2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]-1H-imidazole
CID 126847905

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide?
The IUPAC name of N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide (CID 82748424) is N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide.
What is the SMILES notation for N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide?
The canonical SMILES for N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide is CN(C(=O)n1cc[n+](C)c1)C1CCOC1.[I-].
What is the InChIKey of N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide?
The InChIKey is SQMNRJYVRANYMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N3O2.HI/c1-11-4-5-13(8-11)10(14)12(2)9-3-6-15-7-9;/h4-5,8-9H,3,6-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide?
N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide has a molecular weight of 337.16 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxolan-3-yl)imidazol-3-ium-1-carboxamide iodide is sourced from PubChem (CID 82748424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).