2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione

C20H23N3O2 — CID 3737862

IUPAC2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1C2CCc3[nH]c4ccccc4c3C2C(=O)N1CCN1CCCC1
InChIInChI=1S/C20H23N3O2/c24-19-14-7-8-16-17(13-5-1-2-6-15(13)21-16)18(14)20(25)23(19)12-11-22-9-3-4-10-22/h1-2,5-6,14,18,21H,3-4,7-12H2
InChIKeyUZDRFKGYUDOWCX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.28
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione

2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 3737862) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID3737862
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1C2CCc3[nH]c4ccccc4c3C2C(=O)N1CCN1CCCC1
InChIInChI=1S/C20H23N3O2/c24-19-14-7-8-16-17(13-5-1-2-6-15(13)21-16)18(14)20(25)23(19)12-11-22-9-3-4-10-22/h1-2,5-6,14,18,21H,3-4,7-12H2
InChIKeyUZDRFKGYUDOWCX-UHFFFAOYSA-N
XLogP2.28
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3aS,10cS)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11872765
(3aR,10cR)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 928621
3-[(3aR,10cS)-1,3-dioxo-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazol-2-yl]propyl-dimethylazanium
CID 7410231
2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 3130166
(3aR,10cR)-2-[3-(dimethylamino)propyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 766683
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
(15S,19S)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1214701
(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1214699
2-[4-[(1R,12S)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl]butyl]isoindole-1,3-dione
CID 10250334
5-phenyl-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 84572821
3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
CID 23266875
(2R,6R,7R,12R)-4-ethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
CID 10064733

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione (CID 3737862) is 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1C2CCc3[nH]c4ccccc4c3C2C(=O)N1CCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is UZDRFKGYUDOWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-14-7-8-16-17(13-5-1-2-6-15(13)21-16)18(14)20(25)23(19)12-11-22-9-3-4-10-22/h1-2,5-6,14,18,21H,3-4,7-12H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione?
2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 337.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 3737862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).