3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C18H21NO3 — CID 56595804

IUPAC3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESO=C1CCC2(CC1)CCN([C@H]1CCc3ccccc31)C(=O)O2
InChIInChI=1S/C18H21NO3/c20-14-7-9-18(10-8-14)11-12-19(17(21)22-18)16-6-5-13-3-1-2-4-15(13)16/h1-4,16H,5-12H2/t16-/m0/s1
InChIKeyHYPVTHRCKBWHFU-INIZCTEOSA-N
MW299.37 g/mol
LogP3.40
Rot. Bonds1

About 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 56595804) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID56595804
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESO=C1CCC2(CC1)CCN([C@H]1CCc3ccccc31)C(=O)O2
InChIInChI=1S/C18H21NO3/c20-14-7-9-18(10-8-14)11-12-19(17(21)22-18)16-6-5-13-3-1-2-4-15(13)16/h1-4,16H,5-12H2/t16-/m0/s1
InChIKeyHYPVTHRCKBWHFU-INIZCTEOSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-1-(3,4-Difluoro-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595758
3-[(S)-1-(4-Trifluoromethyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595801
3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995690
3-[(S)-1-Naphthalen-1-yl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995731
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67995755
3-[(S)-1-(4-tert-Butyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995942
3-[(S)-1-(4-Difluoromethyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995958
3-[(S)-1-Phenyl-propyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996093
3-[(S)-1-Phenyl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996134
3-[(S)-1-(4-Fluoro-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996158
3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67996203
3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67996297

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 56595804) is 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is O=C1CCC2(CC1)CCN([C@H]1CCc3ccccc31)C(=O)O2.
What is the InChIKey of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is HYPVTHRCKBWHFU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO3/c20-14-7-9-18(10-8-14)11-12-19(17(21)22-18)16-6-5-13-3-1-2-4-15(13)16/h1-4,16H,5-12H2/t16-/m0/s1.
What are the key properties of 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 299.37 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 56595804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).