(9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one

C16H17NO2 — CID 44570662

IUPAC(9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one
SMILESC=C(C)[C@@H]1CCc2cnc3cc(C)oc(=O)c3c2C1
InChIInChI=1S/C16H17NO2/c1-9(2)11-4-5-12-8-17-14-6-10(3)19-16(18)15(14)13(12)7-11/h6,8,11H,1,4-5,7H2,2-3H3/t11-/m1/s1
InChIKeyFYHXOOBGLYFJIC-LLVKDONJSA-N
MW255.32 g/mol
LogP3.18
Rot. Bonds1

About (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one

(9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one (PubChem CID 44570662) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one.

Molecular Properties

Compound Name(9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one
PubChem CID44570662
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one
SMILESC=C(C)[C@@H]1CCc2cnc3cc(C)oc(=O)c3c2C1
InChIInChI=1S/C16H17NO2/c1-9(2)11-4-5-12-8-17-14-6-10(3)19-16(18)15(14)13(12)7-11/h6,8,11H,1,4-5,7H2,2-3H3/t11-/m1/s1
InChIKeyFYHXOOBGLYFJIC-LLVKDONJSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one?
The IUPAC name of (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one (CID 44570662) is (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one.
What is the SMILES notation for (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one?
The canonical SMILES for (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one is C=C(C)[C@@H]1CCc2cnc3cc(C)oc(=O)c3c2C1.
What is the InChIKey of (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one?
The InChIKey is FYHXOOBGLYFJIC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9(2)11-4-5-12-8-17-14-6-10(3)19-16(18)15(14)13(12)7-11/h6,8,11H,1,4-5,7H2,2-3H3/t11-/m1/s1.
What are the key properties of (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one?
(9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3-methyl-9-prop-1-en-2-yl-7,8,9,10-tetrahydropyrano[4,3-c]isoquinolin-1-one is sourced from PubChem (CID 44570662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).