4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione

C16H14N2O3 — CID 139229615

IUPAC4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione
SMILESCn1c2c(c3ccccc31)CC1(CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H14N2O3/c1-18-11-5-3-2-4-9(11)10-8-16(14(20)13(10)18)7-6-12(19)17-15(16)21/h2-5H,6-8H2,1H3,(H,17,19,21)
InChIKeyQGUNMWCBPQNWSA-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.34
Rot. Bonds

About 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione

4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione (PubChem CID 139229615) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione.

Molecular Properties

Compound Name4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione
PubChem CID139229615
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione
SMILESCn1c2c(c3ccccc31)CC1(CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H14N2O3/c1-18-11-5-3-2-4-9(11)10-8-16(14(20)13(10)18)7-6-12(19)17-15(16)21/h2-5H,6-8H2,1H3,(H,17,19,21)
InChIKeyQGUNMWCBPQNWSA-UHFFFAOYSA-N
XLogP1.34
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione
CID 139229623
methyl 2-(2-cyanoethyl)-9-methyl-1-oxo-3,4-dihydrocarbazole-2-carboxylate
CID 11324349
4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole
CID 3692587
1',4-dimethylspiro[1,2-dihydrocyclopenta[b]indole-3,4'-piperidine]
CID 22896575
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
CID 82393965
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
CID 18366732
5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
CID 86082125
2,9-dimethyl-3,4-dihydrocarbazole
CID 149373411
11-methyl-3,4-dihydro-1H-indolo[3,2-h][1,5]naphthyridin-2-one
CID 102451719
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686

Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione?
The IUPAC name of 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione (CID 139229615) is 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione.
What is the SMILES notation for 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione?
The canonical SMILES for 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione is Cn1c2c(c3ccccc31)CC1(CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione?
The InChIKey is QGUNMWCBPQNWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-11-5-3-2-4-9(11)10-8-16(14(20)13(10)18)7-6-12(19)17-15(16)21/h2-5H,6-8H2,1H3,(H,17,19,21).
What are the key properties of 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione?
4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione has a molecular weight of 282.30 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione is sourced from PubChem (CID 139229615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).