5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C17H22N2O2 — CID 10968130

IUPAC5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC=CCN1CCC2(C(=O)Nc3ccc(OC)cc32)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-5-9-19-10-8-17(16(19,2)3)13-11-12(21-4)6-7-14(13)18-15(17)20/h5-7,11H,1,8-10H2,2-4H3,(H,18,20)
InChIKeyLEBZUNNHCZKZDW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds3

About 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one

5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 10968130) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID10968130
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC=CCN1CCC2(C(=O)Nc3ccc(OC)cc32)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-5-9-19-10-8-17(16(19,2)3)13-11-12(21-4)6-7-14(13)18-15(17)20/h5-7,11H,1,8-10H2,2-4H3,(H,18,20)
InChIKeyLEBZUNNHCZKZDW-UHFFFAOYSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-{1''-Benzyl-5-methoxy-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione}acetic acid
CID 24776279
N-[5-methoxy-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3159328
6-methoxy-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10938620
3,3-Bis-(4-hydroxy-phenyl)-5-methoxy-1,3-dihydro-indol-2-one
CID 12218509
3-Ethyl-3-{4-[4-(4-methoxyphenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854186
(5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
CID 605506
5-Methoxyoxindole
CID 1514286
2-Oxomelatonin
CID 9859734
N-(5-methoxy-2-oxo-1-propyl-3H-indol-3-yl)acetamide
CID 665380
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
5-methoxy-3-piperidin-1-ylimino-1H-indol-2-one
CID 145972297
3-[(3-fluorophenyl)methyl]-3-methyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 49789222

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 10968130) is 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one is C=CCN1CCC2(C(=O)Nc3ccc(OC)cc32)C1(C)C.
What is the InChIKey of 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LEBZUNNHCZKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-9-19-10-8-17(16(19,2)3)13-11-12(21-4)6-7-14(13)18-15(17)20/h5-7,11H,1,8-10H2,2-4H3,(H,18,20).
What are the key properties of 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2',2'-dimethyl-1'-prop-2-enylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 10968130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).