(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane

C15H19Cl2NO — CID 46866510

IUPAC(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
SMILESClc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl
InChIInChI=1S/C15H19Cl2NO/c16-13-3-2-11(8-14(13)17)12-4-6-18-9-15(12)5-1-7-19-10-15/h2-3,8,12,18H,1,4-7,9-10H2/t12-,15+/m0/s1
InChIKeyFOZZHOLQHJQMRY-SWLSCSKDSA-N
MW300.23 g/mol
LogP3.87
Rot. Bonds1

About (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane

(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane (PubChem CID 46866510) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
PubChem CID46866510
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane
SMILESClc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl
InChIInChI=1S/C15H19Cl2NO/c16-13-3-2-11(8-14(13)17)12-4-6-18-9-15(12)5-1-7-19-10-15/h2-3,8,12,18H,1,4-7,9-10H2/t12-,15+/m0/s1
InChIKeyFOZZHOLQHJQMRY-SWLSCSKDSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
carbon dioxide;(7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane
CID 162000870
6-(3,4-dichlorophenyl)-1,4-oxazepan-6-ol;hydrochloride
CID 66975325
2-oxa-9-azaspiro[4.5]decan-6-ol
CID 82415907
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(1R,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 24849583
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775
3-[(3,4-dichlorophenyl)-hydroxymethyl]oxane-3-carbonitrile
CID 113246791
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide
CID 66975679
3-[(3,4-dichlorophenyl)methyl]oxane-3-carboxylic acid
CID 55150319
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
CID 117423041

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane?
The IUPAC name of (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane (CID 46866510) is (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane.
What is the SMILES notation for (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane?
The canonical SMILES for (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane is Clc1ccc([C@@H]2CCNC[C@@]23CCCOC3)cc1Cl.
What is the InChIKey of (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane?
The InChIKey is FOZZHOLQHJQMRY-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-13-3-2-11(8-14(13)17)12-4-6-18-9-15(12)5-1-7-19-10-15/h2-3,8,12,18H,1,4-7,9-10H2/t12-,15+/m0/s1.
What are the key properties of (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane?
(6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane has a molecular weight of 300.23 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-(3,4-dichlorophenyl)-2-oxa-8-azaspiro[5.5]undecane is sourced from PubChem (CID 46866510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).