1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one

C16H23NO3 — CID 80500352

IUPAC1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one
SMILESCCOC(CN1C(=O)C(C)(C)c2ccccc21)OCC
InChIInChI=1S/C16H23NO3/c1-5-19-14(20-6-2)11-17-13-10-8-7-9-12(13)16(3,4)15(17)18/h7-10,14H,5-6,11H2,1-4H3
InChIKeyUUZZNAXBWOIWIT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.71
Rot. Bonds6

About 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one

1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one (PubChem CID 80500352) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one
PubChem CID80500352
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one
SMILESCCOC(CN1C(=O)C(C)(C)c2ccccc21)OCC
InChIInChI=1S/C16H23NO3/c1-5-19-14(20-6-2)11-17-13-10-8-7-9-12(13)16(3,4)15(17)18/h7-10,14H,5-6,11H2,1-4H3
InChIKeyUUZZNAXBWOIWIT-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982524
1''-cyclooctylmethyl-1-(2-oxiranylmethyl)spiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982660
Methyl 2-[1'-[(4-tert-butylcyclohexyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982795
Methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
CID 15982797
Methyl 2-[1'-(cyclohexylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15983062
2-[1'-(Cyclooctylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]ethyl acetate
CID 44404731
Methyl 2-[1'-(cyclooctylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 44404679
Methyl 2-[1'-(2-butyloctyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
CID 15982796
methyl 2-[1''-cyclododecylmethyl-2-oxospiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-1-yl]acetate
CID 15982938
methyl [1''-(cyclopropylmethyl)-2-oxospiro[indole-3,4''-piperidin]-1(2H)-yl]acetate
CID 15983063
2-Indolinone, 1,3,3-trimethyl-
CID 30001
3-(1-ethoxyethylidene)-1-ethyl-1,3-dihydro-2H-indol-2-one
CID 2265379

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one?
The IUPAC name of 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one (CID 80500352) is 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one is CCOC(CN1C(=O)C(C)(C)c2ccccc21)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one?
The InChIKey is UUZZNAXBWOIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-19-14(20-6-2)11-17-13-10-8-7-9-12(13)16(3,4)15(17)18/h7-10,14H,5-6,11H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one?
1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 80500352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).