3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one

C15H17NO2 — CID 72699677

IUPAC3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one
SMILESCC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1
InChIInChI=1S/C15H17NO2/c1-9(2)14-7-13-12(8-18-14)10-5-3-4-6-11(10)15(17)16-13/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)
InChIKeyBZZGSVOPMZGMAO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds1

About 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one

3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one (PubChem CID 72699677) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one
PubChem CID72699677
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one
SMILESCC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1
InChIInChI=1S/C15H17NO2/c1-9(2)14-7-13-12(8-18-14)10-5-3-4-6-11(10)15(17)16-13/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)
InChIKeyBZZGSVOPMZGMAO-UHFFFAOYSA-N
XLogP2.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one?
The IUPAC name of 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one (CID 72699677) is 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one.
What is the SMILES notation for 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one?
The canonical SMILES for 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one is CC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1.
What is the InChIKey of 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one?
The InChIKey is BZZGSVOPMZGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(2)14-7-13-12(8-18-14)10-5-3-4-6-11(10)15(17)16-13/h3-6,9,14H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one?
3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one has a molecular weight of 243.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3,4,5-tetrahydropyrano[4,3-c]isoquinolin-6-one is sourced from PubChem (CID 72699677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).