(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one

C15H19NO2 — CID 101198196

IUPAC(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one
SMILESCCCC[C@H]1C(=O)ON2CCc3ccccc3[C@H]12
InChIInChI=1S/C15H19NO2/c1-2-3-7-13-14-12-8-5-4-6-11(12)9-10-16(14)18-15(13)17/h4-6,8,13-14H,2-3,7,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyLCOQLSNVBMIQQC-ZIAGYGMSSA-N
MW245.32 g/mol
LogP2.86
Rot. Bonds3

About (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one

(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one (PubChem CID 101198196) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one.

Molecular Properties

Compound Name(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one
PubChem CID101198196
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one
SMILESCCCC[C@H]1C(=O)ON2CCc3ccccc3[C@H]12
InChIInChI=1S/C15H19NO2/c1-2-3-7-13-14-12-8-5-4-6-11(12)9-10-16(14)18-15(13)17/h4-6,8,13-14H,2-3,7,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyLCOQLSNVBMIQQC-ZIAGYGMSSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one?
The IUPAC name of (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one (CID 101198196) is (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one.
What is the SMILES notation for (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one?
The canonical SMILES for (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one is CCCC[C@H]1C(=O)ON2CCc3ccccc3[C@H]12.
What is the InChIKey of (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one?
The InChIKey is LCOQLSNVBMIQQC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-7-13-14-12-8-5-4-6-11(12)9-10-16(14)18-15(13)17/h4-6,8,13-14H,2-3,7,9-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one?
(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one is sourced from PubChem (CID 101198196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).