oxirane;quinoline

C11H11NO — CID 157282028

IUPACoxirane;quinoline
SMILESC1CO1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-1/h1-7H;1-2H2
InChIKeyAZTVMSNZEYFMCP-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.25
Rot. Bonds

About oxirane;quinoline

oxirane;quinoline (PubChem CID 157282028) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is oxirane;quinoline.

Molecular Properties

Compound Nameoxirane;quinoline
PubChem CID157282028
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Nameoxirane;quinoline
SMILESC1CO1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H4O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-1/h1-7H;1-2H2
InChIKeyAZTVMSNZEYFMCP-UHFFFAOYSA-N
XLogP2.25
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxane;quinoline
CID 67077004
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
quinoline;quinoxaline
CID 66672759
quinoline;titanium;hydrate
CID 174714429
quinoline;hydrochloride;hydroiodide
CID 161378453

Frequently Asked Questions

What is the IUPAC name of oxirane;quinoline?
The IUPAC name of oxirane;quinoline (CID 157282028) is oxirane;quinoline.
What is the SMILES notation for oxirane;quinoline?
The canonical SMILES for oxirane;quinoline is C1CO1.c1ccc2ncccc2c1.
What is the InChIKey of oxirane;quinoline?
The InChIKey is AZTVMSNZEYFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H4O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-1/h1-7H;1-2H2.
What are the key properties of oxirane;quinoline?
oxirane;quinoline has a molecular weight of 173.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;quinoline is sourced from PubChem (CID 157282028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).