8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

C15H19NO4 — CID 134944444

IUPAC8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1cc2c(c(OC)c1OC)C1CCC(=O)N1CC2
InChIInChI=1S/C15H19NO4/c1-18-11-8-9-6-7-16-10(4-5-12(16)17)13(9)15(20-3)14(11)19-2/h8,10H,4-7H2,1-3H3
InChIKeyFCJREDIYPPIMFC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.93
Rot. Bonds3

About 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 134944444) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID134944444
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOc1cc2c(c(OC)c1OC)C1CCC(=O)N1CC2
InChIInChI=1S/C15H19NO4/c1-18-11-8-9-6-7-16-10(4-5-12(16)17)13(9)15(20-3)14(11)19-2/h8,10H,4-7H2,1-3H3
InChIKeyFCJREDIYPPIMFC-UHFFFAOYSA-N
XLogP1.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (CID 134944444) is 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is COc1cc2c(c(OC)c1OC)C1CCC(=O)N1CC2.
What is the InChIKey of 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is FCJREDIYPPIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-11-8-9-6-7-16-10(4-5-12(16)17)13(9)15(20-3)14(11)19-2/h8,10H,4-7H2,1-3H3.
What are the key properties of 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 277.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-trimethoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 134944444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).