(6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

C19H19NO2 — CID 67543903

IUPAC(6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1ccc2c(c1)[C@@H](c1ccccc1)CN1C(=O)CC[C@H]21
InChIInChI=1S/C19H19NO2/c1-22-14-7-8-15-16(11-14)17(13-5-3-2-4-6-13)12-20-18(15)9-10-19(20)21/h2-8,11,17-18H,9-10,12H2,1H3/t17-,18-/m1/s1
InChIKeyQWWKIBPANQBWCW-QZTJIDSGSA-N
MW293.37 g/mol
LogP3.50
Rot. Bonds2

About (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

(6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 67543903) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name(6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID67543903
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1ccc2c(c1)[C@@H](c1ccccc1)CN1C(=O)CC[C@H]21
InChIInChI=1S/C19H19NO2/c1-22-14-7-8-15-16(11-14)17(13-5-3-2-4-6-13)12-20-18(15)9-10-19(20)21/h2-8,11,17-18H,9-10,12H2,1H3/t17-,18-/m1/s1
InChIKeyQWWKIBPANQBWCW-QZTJIDSGSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (CID 67543903) is (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is COc1ccc2c(c1)[C@@H](c1ccccc1)CN1C(=O)CC[C@H]21.
What is the InChIKey of (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is QWWKIBPANQBWCW-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-14-7-8-15-16(11-14)17(13-5-3-2-4-6-13)12-20-18(15)9-10-19(20)21/h2-8,11,17-18H,9-10,12H2,1H3/t17-,18-/m1/s1.
What are the key properties of (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
(6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 293.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10bR)-8-methoxy-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 67543903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).