1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one

C21H26N2O — CID 70959217

IUPAC1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(CC1CC3CCC=CC31)CC2
InChIInChI=1S/C21H26N2O/c24-20-21(18-7-3-4-8-19(18)22-20)9-11-23(12-10-21)14-16-13-15-5-1-2-6-17(15)16/h2-4,6-8,15-17H,1,5,9-14H2,(H,22,24)
InChIKeyIWAOPTJQQOONPU-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.57
Rot. Bonds2

About 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one

1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 70959217) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID70959217
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(CC1CC3CCC=CC31)CC2
InChIInChI=1S/C21H26N2O/c24-20-21(18-7-3-4-8-19(18)22-20)9-11-23(12-10-21)14-16-13-15-5-1-2-6-17(15)16/h2-4,6-8,15-17H,1,5,9-14H2,(H,22,24)
InChIKeyIWAOPTJQQOONPU-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)-5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 70959341
1'-(cyclohexylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134788957
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide
CID 157012359
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
4-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-1,4-diazepane-1-carboxylic acid
CID 166721147
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619

Frequently Asked Questions

What is the IUPAC name of 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 70959217) is 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccccc2C12CCN(CC1CC3CCC=CC31)CC2.
What is the InChIKey of 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is IWAOPTJQQOONPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-20-21(18-7-3-4-8-19(18)22-20)9-11-23(12-10-21)14-16-13-15-5-1-2-6-17(15)16/h2-4,6-8,15-17H,1,5,9-14H2,(H,22,24).
What are the key properties of 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 322.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 70959217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).