(5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one

C17H19NO3 — CID 86730038

IUPAC(5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESO=C1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1
InChIInChI=1S/C17H19NO3/c19-15-4-3-11-7-12(1-2-13(11)8-15)14-5-6-17(9-14)10-21-16(20)18-17/h1-2,7,14H,3-6,8-10H2,(H,18,20)/t14-,17+/m0/s1
InChIKeyGKJWLMMNYJYRMH-WMLDXEAASA-N
MW285.34 g/mol
LogP2.49
Rot. Bonds1

About (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one

(5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one (PubChem CID 86730038) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
PubChem CID86730038
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESO=C1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1
InChIInChI=1S/C17H19NO3/c19-15-4-3-11-7-12(1-2-13(11)8-15)14-5-6-17(9-14)10-21-16(20)18-17/h1-2,7,14H,3-6,8-10H2,(H,18,20)/t14-,17+/m0/s1
InChIKeyGKJWLMMNYJYRMH-WMLDXEAASA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one (CID 86730038) is (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one is O=C1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1.
What is the InChIKey of (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The InChIKey is GKJWLMMNYJYRMH-WMLDXEAASA-N. The full InChI is InChI=1S/C17H19NO3/c19-15-4-3-11-7-12(1-2-13(11)8-15)14-5-6-17(9-14)10-21-16(20)18-17/h1-2,7,14H,3-6,8-10H2,(H,18,20)/t14-,17+/m0/s1.
What are the key properties of (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
(5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-8-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-3-oxa-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 86730038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).