N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide

C8H16IN3O — CID 66930492

IUPACN-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide
SMILESCCN(C)C(=O)[NH+]1C=CN(C)C1.[I-]
InChIInChI=1S/C8H15N3O.HI/c1-4-10(3)8(12)11-6-5-9(2)7-11;/h5-6H,4,7H2,1-3H3;1H
InChIKeyMJBDJPLEWDLRSR-UHFFFAOYSA-N
MW297.14 g/mol
LogP-3.68
Rot. Bonds1

About N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide

N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide (PubChem CID 66930492) has the molecular formula C8H16IN3O and a molecular weight of 297.14 g/mol. Its IUPAC name is N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide.

Molecular Properties

Compound NameN-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide
PubChem CID66930492
Molecular FormulaC8H16IN3O
Molecular Weight297.14 g/mol
Exact Mass297.03
IUPAC NameN-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide
SMILESCCN(C)C(=O)[NH+]1C=CN(C)C1.[I-]
InChIInChI=1S/C8H15N3O.HI/c1-4-10(3)8(12)11-6-5-9(2)7-11;/h5-6H,4,7H2,1-3H3;1H
InChIKeyMJBDJPLEWDLRSR-UHFFFAOYSA-N
XLogP-3.68
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 5-3.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide?
The IUPAC name of N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide (CID 66930492) is N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide.
What is the SMILES notation for N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide?
The canonical SMILES for N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide is CCN(C)C(=O)[NH+]1C=CN(C)C1.[I-].
What is the InChIKey of N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide?
The InChIKey is MJBDJPLEWDLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.HI/c1-4-10(3)8(12)11-6-5-9(2)7-11;/h5-6H,4,7H2,1-3H3;1H.
What are the key properties of N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide?
N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide has a molecular weight of 297.14 g/mol, XLogP of -3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethyl-1,2-dihydroimidazol-1-ium-1-carboxamide iodide is sourced from PubChem (CID 66930492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).