trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium

C7H14N3O+ — CID 54453513

IUPACtrimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium
SMILESC[N+](C)(C)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H13N3O/c1-10(2,3)5-6-4-8-7(11)9-6/h4H,5H2,1-3H3,(H-,8,9,11)/p+1
InChIKeyWWOQDTTVEWHZEP-UHFFFAOYSA-O
MW156.21 g/mol
LogP-0.09
Rot. Bonds2

About trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium

trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium (PubChem CID 54453513) has the molecular formula C7H14N3O+ and a molecular weight of 156.21 g/mol. Its IUPAC name is trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium
PubChem CID54453513
Molecular FormulaC7H14N3O+
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Nametrimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium
SMILESC[N+](C)(C)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C7H13N3O/c1-10(2,3)5-6-4-8-7(11)9-6/h4H,5H2,1-3H3,(H-,8,9,11)/p+1
InChIKeyWWOQDTTVEWHZEP-UHFFFAOYSA-O
XLogP-0.09
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium?
The IUPAC name of trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium (CID 54453513) is trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium is C[N+](C)(C)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium?
The InChIKey is WWOQDTTVEWHZEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3O/c1-10(2,3)5-6-4-8-7(11)9-6/h4H,5H2,1-3H3,(H-,8,9,11)/p+1.
What are the key properties of trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium?
trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium has a molecular weight of 156.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]azanium is sourced from PubChem (CID 54453513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).