8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

C15H19NO3 — CID 15834177

IUPAC8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1cc2c(cc1OC)C1(C)CCC(=O)N1CC2
InChIInChI=1S/C15H19NO3/c1-15-6-4-14(17)16(15)7-5-10-8-12(18-2)13(19-3)9-11(10)15/h8-9H,4-7H2,1-3H3
InChIKeyGBSIPGSWRZLXLO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.10
Rot. Bonds2

About 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 15834177) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
PubChem CID15834177
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1cc2c(cc1OC)C1(C)CCC(=O)N1CC2
InChIInChI=1S/C15H19NO3/c1-15-6-4-14(17)16(15)7-5-10-8-12(18-2)13(19-3)9-11(10)15/h8-9H,4-7H2,1-3H3
InChIKeyGBSIPGSWRZLXLO-UHFFFAOYSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (CID 15834177) is 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is COc1cc2c(cc1OC)C1(C)CCC(=O)N1CC2.
What is the InChIKey of 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is GBSIPGSWRZLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15-6-4-14(17)16(15)7-5-10-8-12(18-2)13(19-3)9-11(10)15/h8-9H,4-7H2,1-3H3.
What are the key properties of 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 261.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 15834177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).