(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

C14H16N2O2 — CID 71815052

IUPAC(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN1C(=O)[C@H]2CNc3ccc(C)cc3[C@H]2C1=O
InChIInChI=1S/C14H16N2O2/c1-3-16-13(17)10-7-15-11-5-4-8(2)6-9(11)12(10)14(16)18/h4-6,10,12,15H,3,7H2,1-2H3/t10-,12+/m0/s1
InChIKeyBIRQXUVAEBFLMJ-CMPLNLGQSA-N
MW244.29 g/mol
LogP1.51
Rot. Bonds1

About (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 71815052) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID71815052
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN1C(=O)[C@H]2CNc3ccc(C)cc3[C@H]2C1=O
InChIInChI=1S/C14H16N2O2/c1-3-16-13(17)10-7-15-11-5-4-8(2)6-9(11)12(10)14(16)18/h4-6,10,12,15H,3,7H2,1-2H3/t10-,12+/m0/s1
InChIKeyBIRQXUVAEBFLMJ-CMPLNLGQSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione 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 (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (CID 71815052) is (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is CCN1C(=O)[C@H]2CNc3ccc(C)cc3[C@H]2C1=O.
What is the InChIKey of (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is BIRQXUVAEBFLMJ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-16-13(17)10-7-15-11-5-4-8(2)6-9(11)12(10)14(16)18/h4-6,10,12,15H,3,7H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 71815052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).