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

C13H14N2O2 — CID 71815050

IUPAC(3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN1C(=O)[C@H]2CNc3ccccc3[C@H]2C1=O
InChIInChI=1S/C13H14N2O2/c1-2-15-12(16)9-7-14-10-6-4-3-5-8(10)11(9)13(15)17/h3-6,9,11,14H,2,7H2,1H3/t9-,11+/m0/s1
InChIKeySLDKOKYNULVSED-GXSJLCMTSA-N
MW230.27 g/mol
LogP1.20
Rot. Bonds1

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

(3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 71815050) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name(3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID71815050
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN1C(=O)[C@H]2CNc3ccccc3[C@H]2C1=O
InChIInChI=1S/C13H14N2O2/c1-2-15-12(16)9-7-14-10-6-4-3-5-8(10)11(9)13(15)17/h3-6,9,11,14H,2,7H2,1H3/t9-,11+/m0/s1
InChIKeySLDKOKYNULVSED-GXSJLCMTSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,9bS)-2-ethyl-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

Related Compounds

(3aR,9bS)-2-ethyl-8-methyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
CID 71815052
2-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 24695821
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
(3aS,11bR)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832380
(3aS,11bS)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832379
17-ethyl-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 14912119
2,3-dihydro-1H-indol-3-yl(trimethyl)azanium
CID 174459262
5-(2-bromophenyl)-3-ethylimidazolidine-2,4-dione
CID 154762580
(3S,4R)-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 102145962
1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 14931742
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
CID 80567020
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033

Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (CID 71815050) is (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is CCN1C(=O)[C@H]2CNc3ccccc3[C@H]2C1=O.
What is the InChIKey of (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is SLDKOKYNULVSED-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-15-12(16)9-7-14-10-6-4-3-5-8(10)11(9)13(15)17/h3-6,9,11,14H,2,7H2,1H3/t9-,11+/m0/s1.
What are the key properties of (3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
(3aR,9bS)-2-ethyl-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 230.27 g/mol, XLogP of 1.20, 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-3a,4,5,9b-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 71815050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).