1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

C14H17NO2 — CID 589400

IUPAC1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESCC1(C)OC(=O)N2CCc3ccccc3C21C
InChIInChI=1S/C14H17NO2/c1-13(2)14(3)11-7-5-4-6-10(11)8-9-15(14)12(16)17-13/h4-7H,8-9H2,1-3H3
InChIKeyKNBXITQUNJWIRE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.69
Rot. Bonds

About 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (PubChem CID 589400) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.

Molecular Properties

Compound Name1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
PubChem CID589400
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESCC1(C)OC(=O)N2CCc3ccccc3C21C
InChIInChI=1S/C14H17NO2/c1-13(2)14(3)11-7-5-4-6-10(11)8-9-15(14)12(16)17-13/h4-7H,8-9H2,1-3H3
InChIKeyKNBXITQUNJWIRE-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The IUPAC name of 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (CID 589400) is 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.
What is the SMILES notation for 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The canonical SMILES for 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is CC1(C)OC(=O)N2CCc3ccccc3C21C.
What is the InChIKey of 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The InChIKey is KNBXITQUNJWIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-13(2)14(3)11-7-5-4-6-10(11)8-9-15(14)12(16)17-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one has a molecular weight of 231.29 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,10b-trimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is sourced from PubChem (CID 589400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).