N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide

C9H18N3O+ — CID 20748345

IUPACN-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESCC(=O)NCC[N+]1(C)CCN=C1C
InChIInChI=1S/C9H17N3O/c1-8-10-4-6-12(8,3)7-5-11-9(2)13/h4-7H2,1-3H3/p+1
InChIKeyUAKZARCBMSWRHM-UHFFFAOYSA-O
MW184.26 g/mol
LogP0.00
Rot. Bonds3

About N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide

N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (PubChem CID 20748345) has the molecular formula C9H18N3O+ and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
PubChem CID20748345
Molecular FormulaC9H18N3O+
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide
SMILESCC(=O)NCC[N+]1(C)CCN=C1C
InChIInChI=1S/C9H17N3O/c1-8-10-4-6-12(8,3)7-5-11-9(2)13/h4-7H2,1-3H3/p+1
InChIKeyUAKZARCBMSWRHM-UHFFFAOYSA-O
XLogP0.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide (CID 20748345) is N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is CC(=O)NCC[N+]1(C)CCN=C1C.
What is the InChIKey of N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
The InChIKey is UAKZARCBMSWRHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3O/c1-8-10-4-6-12(8,3)7-5-11-9(2)13/h4-7H2,1-3H3/p+1.
What are the key properties of N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide?
N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide has a molecular weight of 184.26 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]acetamide is sourced from PubChem (CID 20748345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).