3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one

C16H24N2O — CID 15573048

IUPAC3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
SMILESCCc1c2c(n(C)c1C)CC1CCN(C)CC1C2=O
InChIInChI=1S/C16H24N2O/c1-5-12-10(2)18(4)14-8-11-6-7-17(3)9-13(11)16(19)15(12)14/h11,13H,5-9H2,1-4H3
InChIKeyZRVPSQYTUYJQRE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds1

About 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one

3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one (PubChem CID 15573048) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one.

Molecular Properties

Compound Name3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
PubChem CID15573048
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one
SMILESCCc1c2c(n(C)c1C)CC1CCN(C)CC1C2=O
InChIInChI=1S/C16H24N2O/c1-5-12-10(2)18(4)14-8-11-6-7-17(3)9-13(11)16(19)15(12)14/h11,13H,5-9H2,1-4H3
InChIKeyZRVPSQYTUYJQRE-UHFFFAOYSA-N
XLogP2.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one?
The IUPAC name of 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one (CID 15573048) is 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one.
What is the SMILES notation for 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one?
The canonical SMILES for 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one is CCc1c2c(n(C)c1C)CC1CCN(C)CC1C2=O.
What is the InChIKey of 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one?
The InChIKey is ZRVPSQYTUYJQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-12-10(2)18(4)14-8-11-6-7-17(3)9-13(11)16(19)15(12)14/h11,13H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one?
3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one is sourced from PubChem (CID 15573048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).