5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione

C18H18N2O3 — CID 139229623

IUPAC5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione
SMILESCn1c2c(c3ccccc31)C(=O)C1(CCC2)CCC(=O)NC1=O
InChIInChI=1S/C18H18N2O3/c1-20-12-6-3-2-5-11(12)15-13(20)7-4-9-18(16(15)22)10-8-14(21)19-17(18)23/h2-3,5-6H,4,7-10H2,1H3,(H,19,21,23)
InChIKeyAKZUXFKPNUAOOB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.12
Rot. Bonds

About 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione

5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione (PubChem CID 139229623) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione.

Molecular Properties

Compound Name5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione
PubChem CID139229623
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione
SMILESCn1c2c(c3ccccc31)C(=O)C1(CCC2)CCC(=O)NC1=O
InChIInChI=1S/C18H18N2O3/c1-20-12-6-3-2-5-11(12)15-13(20)7-4-9-18(16(15)22)10-8-14(21)19-17(18)23/h2-3,5-6H,4,7-10H2,1H3,(H,19,21,23)
InChIKeyAKZUXFKPNUAOOB-UHFFFAOYSA-N
XLogP2.12
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione with MolForge

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Related Compounds

4-methylspiro[1H-cyclopenta[b]indole-2,3'-piperidine]-2',3,6'-trione
CID 139229615
methyl 2-[3-(hydroxymethyl)-9-methyl-4-oxo-1,2-dihydrocarbazol-3-yl]-2-oxoacetate
CID 18999163
5-methyl-9-[(5-methyl-1H-imidazol-4-yl)methylidene]-7,8-dihydro-6H-cyclohepta[b]indol-10-one
CID 67885622
N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one
CID 19037551
(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide
CID 164522246
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
CID 23559680
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione?
The IUPAC name of 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione (CID 139229623) is 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione.
What is the SMILES notation for 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione?
The canonical SMILES for 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione is Cn1c2c(c3ccccc31)C(=O)C1(CCC2)CCC(=O)NC1=O.
What is the InChIKey of 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione?
The InChIKey is AKZUXFKPNUAOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-12-6-3-2-5-11(12)15-13(20)7-4-9-18(16(15)22)10-8-14(21)19-17(18)23/h2-3,5-6H,4,7-10H2,1H3,(H,19,21,23).
What are the key properties of 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione?
5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione has a molecular weight of 310.35 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[7,8-dihydro-6H-cyclohepta[b]indole-9,3'-piperidine]-2',6',10-trione is sourced from PubChem (CID 139229623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).