3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

C11H11NO2 — CID 11263952

IUPAC3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESO=C1OCC2CCc3ccccc3N12
InChIInChI=1S/C11H11NO2/c13-11-12-9(7-14-11)6-5-8-3-1-2-4-10(8)12/h1-4,9H,5-7H2
InChIKeyIYFPFSMWFRSRCD-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.96
Rot. Bonds

About 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (PubChem CID 11263952) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
PubChem CID11263952
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESO=C1OCC2CCc3ccccc3N12
InChIInChI=1S/C11H11NO2/c13-11-12-9(7-14-11)6-5-8-3-1-2-4-10(8)12/h1-4,9H,5-7H2
InChIKeyIYFPFSMWFRSRCD-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The IUPAC name of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (CID 11263952) is 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.
What is the SMILES notation for 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The canonical SMILES for 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is O=C1OCC2CCc3ccccc3N12.
What is the InChIKey of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The InChIKey is IYFPFSMWFRSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-12-9(7-14-11)6-5-8-3-1-2-4-10(8)12/h1-4,9H,5-7H2.
What are the key properties of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is sourced from PubChem (CID 11263952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).