(3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one

C19H25NO2 — CID 118899894

IUPAC(3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CC[C@H](c3ccc4c(c3)CC[C@@H](O)C4)C2)N1
InChIInChI=1S/C19H25NO2/c21-17-6-5-13-10-14(3-4-15(13)11-17)16-7-9-19(12-16)8-1-2-18(22)20-19/h3-4,10,16-17,21H,1-2,5-9,11-12H2,(H,20,22)/t16-,17+,19+/m0/s1
InChIKeyZBDYKMHFYWXGFY-YQVWRLOYSA-N
MW299.41 g/mol
LogP2.84
Rot. Bonds1

About (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one

(3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one (PubChem CID 118899894) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one
PubChem CID118899894
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CC[C@H](c3ccc4c(c3)CC[C@@H](O)C4)C2)N1
InChIInChI=1S/C19H25NO2/c21-17-6-5-13-10-14(3-4-15(13)11-17)16-7-9-19(12-16)8-1-2-18(22)20-19/h3-4,10,16-17,21H,1-2,5-9,11-12H2,(H,20,22)/t16-,17+,19+/m0/s1
InChIKeyZBDYKMHFYWXGFY-YQVWRLOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one?
The IUPAC name of (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one (CID 118899894) is (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one.
What is the SMILES notation for (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one?
The canonical SMILES for (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CC[C@H](c3ccc4c(c3)CC[C@@H](O)C4)C2)N1.
What is the InChIKey of (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one?
The InChIKey is ZBDYKMHFYWXGFY-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-17-6-5-13-10-14(3-4-15(13)11-17)16-7-9-19(12-16)8-1-2-18(22)20-19/h3-4,10,16-17,21H,1-2,5-9,11-12H2,(H,20,22)/t16-,17+,19+/m0/s1.
What are the key properties of (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one?
(3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one has a molecular weight of 299.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[(6R)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-6-azaspiro[4.5]decan-7-one is sourced from PubChem (CID 118899894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).