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

C15H19NO4 — CID 101480602

IUPAC8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
SMILESCOc1cc2c(c(OC)c1OC)C1CCCN1C(=O)C2
InChIInChI=1S/C15H19NO4/c1-18-11-7-9-8-12(17)16-6-4-5-10(16)13(9)15(20-3)14(11)19-2/h7,10H,4-6,8H2,1-3H3
InChIKeyMIRFXQACYGRRMU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.93
Rot. Bonds3

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

8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one (PubChem CID 101480602) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one.

Molecular Properties

Compound Name8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
PubChem CID101480602
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
SMILESCOc1cc2c(c(OC)c1OC)C1CCCN1C(=O)C2
InChIInChI=1S/C15H19NO4/c1-18-11-7-9-8-12(17)16-6-4-5-10(16)13(9)15(20-3)14(11)19-2/h7,10H,4-6,8H2,1-3H3
InChIKeyMIRFXQACYGRRMU-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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Related Compounds

9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3379225
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CID 10990303
7,8-dimethoxy-3-[3-(methylamino)cyclohexyl]-2,5-dihydro-1H-3-benzazepin-4-one
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CID 79944558
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CID 22046725
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CID 102106602
2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 24973086
5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
CID 157480286
(13aS)-2,3,6,7-tetramethoxy-11,12,13,13a-tetrahydro-9H-phenanthro[9,10-f]indolizin-14-one
CID 11315764
4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one
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Frequently Asked Questions

What is the IUPAC name of 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
The IUPAC name of 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one (CID 101480602) is 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one.
What is the SMILES notation for 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
The canonical SMILES for 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one is COc1cc2c(c(OC)c1OC)C1CCCN1C(=O)C2.
What is the InChIKey of 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
The InChIKey is MIRFXQACYGRRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-11-7-9-8-12(17)16-6-4-5-10(16)13(9)15(20-3)14(11)19-2/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one?
8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-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-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one is sourced from PubChem (CID 101480602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).