4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine

C10H13N3O — CID 91109078

IUPAC4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine
SMILESC#Cc1nc(N2CCOCC2)[nH]c1C
InChIInChI=1S/C10H13N3O/c1-3-9-8(2)11-10(12-9)13-4-6-14-7-5-13/h1H,4-7H2,2H3,(H,11,12)
InChIKeyAAZQYXQEGHVKNF-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.54
Rot. Bonds1

About 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine

4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 91109078) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID91109078
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine
SMILESC#Cc1nc(N2CCOCC2)[nH]c1C
InChIInChI=1S/C10H13N3O/c1-3-9-8(2)11-10(12-9)13-4-6-14-7-5-13/h1H,4-7H2,2H3,(H,11,12)
InChIKeyAAZQYXQEGHVKNF-UHFFFAOYSA-N
XLogP0.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine (CID 91109078) is 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine is C#Cc1nc(N2CCOCC2)[nH]c1C.
What is the InChIKey of 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is AAZQYXQEGHVKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-9-8(2)11-10(12-9)13-4-6-14-7-5-13/h1H,4-7H2,2H3,(H,11,12).
What are the key properties of 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine?
4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 191.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 91109078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).