oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone

C17H22N2O2 — CID 175894730

IUPACoxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c20-16(13-5-9-21-10-6-13)19-8-7-17(12-19)11-18-15-4-2-1-3-14(15)17/h1-4,13,18H,5-12H2
InChIKeyJLOCFHKOWOPYHJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds1

About oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone

oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 175894730) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
PubChem CID175894730
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameoxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c20-16(13-5-9-21-10-6-13)19-8-7-17(12-19)11-18-15-4-2-1-3-14(15)17/h1-4,13,18H,5-12H2
InChIKeyJLOCFHKOWOPYHJ-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
CID 163334344
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone
CID 154444053
1-(5-sulfanylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 90463958
[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-(oxan-4-yl)methanone
CID 118662447

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone (CID 175894730) is oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone is O=C(C1CCOCC1)N1CCC2(CNc3ccccc32)C1.
What is the InChIKey of oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is JLOCFHKOWOPYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(13-5-9-21-10-6-13)19-8-7-17(12-19)11-18-15-4-2-1-3-14(15)17/h1-4,13,18H,5-12H2.
What are the key properties of oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone?
oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 175894730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).