(3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one

C19H23NO2 — CID 118899857

IUPAC(3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one
SMILESO=C1CCc2cc([C@@H]3CC[C@]4(CCCC(=O)N4)C3)ccc2C1
InChIInChI=1S/C19H23NO2/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/h3-4,10,16H,1-2,5-9,11-12H2,(H,20,22)/t16-,19-/m1/s1
InChIKeyOXRPNSMSZZPHQP-VQIMIIECSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds1

About (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one

(3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one (PubChem CID 118899857) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one
PubChem CID118899857
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one
SMILESO=C1CCc2cc([C@@H]3CC[C@]4(CCCC(=O)N4)C3)ccc2C1
InChIInChI=1S/C19H23NO2/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/h3-4,10,16H,1-2,5-9,11-12H2,(H,20,22)/t16-,19-/m1/s1
InChIKeyOXRPNSMSZZPHQP-VQIMIIECSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one?
The IUPAC name of (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one (CID 118899857) is (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one.
What is the SMILES notation for (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one?
The canonical SMILES for (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one is O=C1CCc2cc([C@@H]3CC[C@]4(CCCC(=O)N4)C3)ccc2C1.
What is the InChIKey of (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one?
The InChIKey is OXRPNSMSZZPHQP-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23NO2/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/h3-4,10,16H,1-2,5-9,11-12H2,(H,20,22)/t16-,19-/m1/s1.
What are the key properties of (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one?
(3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one has a molecular weight of 297.40 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-6-azaspiro[4.5]decan-7-one is sourced from PubChem (CID 118899857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).