3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one

C14H18N2O4 — CID 110156204

IUPAC3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C14H18N2O4/c17-11-9-16(7-5-14(11)4-2-8-20-14)13(19)10-3-1-6-15-12(10)18/h1,3,6,11,17H,2,4-5,7-9H2,(H,15,18)/t11-,14-/m0/s1
InChIKeyAWYAPZBSXYJLJA-FZMZJTMJSA-N
MW278.31 g/mol
LogP0.13
Rot. Bonds1

About 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one

3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one (PubChem CID 110156204) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
PubChem CID110156204
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C14H18N2O4/c17-11-9-16(7-5-14(11)4-2-8-20-14)13(19)10-3-1-6-15-12(10)18/h1,3,6,11,17H,2,4-5,7-9H2,(H,15,18)/t11-,14-/m0/s1
InChIKeyAWYAPZBSXYJLJA-FZMZJTMJSA-N
XLogP0.13
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one
CID 110156205
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
CID 110155802
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159563
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130

Frequently Asked Questions

What is the IUPAC name of 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one (CID 110156204) is 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?
The InChIKey is AWYAPZBSXYJLJA-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-9-16(7-5-14(11)4-2-8-20-14)13(19)10-3-1-6-15-12(10)18/h1,3,6,11,17H,2,4-5,7-9H2,(H,15,18)/t11-,14-/m0/s1.
What are the key properties of 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?
3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 110156204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).