1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one

C20H21NO2 — CID 23337736

IUPAC1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one
SMILESCC1(C)OCCC12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C20H21NO2/c1-19(2)20(12-13-23-19)16-10-6-7-11-17(16)21(18(20)22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyLNPMKUPFTQJRRR-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.67
Rot. Bonds2

About 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one

1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one (PubChem CID 23337736) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one.

Molecular Properties

Compound Name1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one
PubChem CID23337736
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one
SMILESCC1(C)OCCC12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C20H21NO2/c1-19(2)20(12-13-23-19)16-10-6-7-11-17(16)21(18(20)22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyLNPMKUPFTQJRRR-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxo-3-indolinecarboxylate
CID 23723129
Ethyl 3-benzyl-2-oxo-3-indolinecarboxylate
CID 16210738
Humantenine
CID 44593672
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one
CID 101606433
(1R,2S,4S,5S,7Z,8R,9S)-7-ethylidene-1'-methoxy-5-methyl-5-oxidospiro[11-oxa-5-azoniatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
CID 164626494
7-Ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
CID 75055101
2-Indolinone, 3-allyl-3-(2-hydroxypropyl)-1-phenyl-
CID 30334
2-Indolinone, 3,3-bis(2-hydroxypropyl)-1-phenyl-
CID 30335
1,2-Dihydrospiro[indole-3,3'-oxolan]-2-one
CID 58171286
Ethyl 3-benzyl-1-[3-(dimethylamino)propyl]-2-oxoindole-3-carboxylate
CID 4608942
1-(2-Methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 118744921
[1-Methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102499449

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one?
The IUPAC name of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one (CID 23337736) is 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one.
What is the SMILES notation for 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one?
The canonical SMILES for 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one is CC1(C)OCCC12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one?
The InChIKey is LNPMKUPFTQJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-19(2)20(12-13-23-19)16-10-6-7-11-17(16)21(18(20)22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.
What are the key properties of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one?
1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one is sourced from PubChem (CID 23337736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).