9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one

C18H19NO — CID 11254116

IUPAC9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
SMILESCC1(C)CC(=O)c2cc3n(c2C1)CCc1ccccc1-3
InChIInChI=1S/C18H19NO/c1-18(2)10-16-14(17(20)11-18)9-15-13-6-4-3-5-12(13)7-8-19(15)16/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyPWMZFVDWARHVHV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.87
Rot. Bonds

About 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one

9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one (PubChem CID 11254116) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one.

Molecular Properties

Compound Name9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
PubChem CID11254116
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one
SMILESCC1(C)CC(=O)c2cc3n(c2C1)CCc1ccccc1-3
InChIInChI=1S/C18H19NO/c1-18(2)10-16-14(17(20)11-18)9-15-13-6-4-3-5-12(13)7-8-19(15)16/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyPWMZFVDWARHVHV-UHFFFAOYSA-N
XLogP3.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
The IUPAC name of 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one (CID 11254116) is 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one.
What is the SMILES notation for 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
The canonical SMILES for 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one is CC1(C)CC(=O)c2cc3n(c2C1)CCc1ccccc1-3.
What is the InChIKey of 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
The InChIKey is PWMZFVDWARHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-18(2)10-16-14(17(20)11-18)9-15-13-6-4-3-5-12(13)7-8-19(15)16/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one?
9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one has a molecular weight of 265.36 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-5,6,8,10-tetrahydroindolo[2,1-a]isoquinolin-11-one is sourced from PubChem (CID 11254116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).