1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H23N3O2 — CID 154840539

IUPAC1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C24H23N3O2/c28-22(17-8-5-7-16-15-6-1-3-10-19(15)25-21(16)17)27-13-12-24(14-27)18-9-2-4-11-20(18)26-23(24)29/h2,4-5,7-9,11,25H,1,3,6,10,12-14H2,(H,26,29)
InChIKeyQMQFDSJOUDGKQH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.78
Rot. Bonds1

About 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 154840539) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID154840539
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C24H23N3O2/c28-22(17-8-5-7-16-15-6-1-3-10-19(15)25-21(16)17)27-13-12-24(14-27)18-9-2-4-11-20(18)26-23(24)29/h2,4-5,7-9,11,25H,1,3,6,10,12-14H2,(H,26,29)
InChIKeyQMQFDSJOUDGKQH-UHFFFAOYSA-N
XLogP3.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95712790
3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70761535
1'-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162633325
1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167896087
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 37253115
(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718659
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493

Frequently Asked Questions

What is the IUPAC name of 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 154840539) is 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QMQFDSJOUDGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-22(17-8-5-7-16-15-6-1-3-10-19(15)25-21(16)17)27-13-12-24(14-27)18-9-2-4-11-20(18)26-23(24)29/h2,4-5,7-9,11,25H,1,3,6,10,12-14H2,(H,26,29).
What are the key properties of 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 154840539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).