3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one

C20H22N2O3 — CID 72876722

IUPAC3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCCC2(CCOC2)C1
InChIInChI=1S/C20H22N2O3/c23-18-16(7-8-17(21-18)15-5-2-1-3-6-15)19(24)22-11-4-9-20(13-22)10-12-25-14-20/h1-3,5-8H,4,9-14H2,(H,21,23)
InChIKeyOZVRPGONVGEAHP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.68
Rot. Bonds2

About 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one

3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one (PubChem CID 72876722) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
PubChem CID72876722
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCCC2(CCOC2)C1
InChIInChI=1S/C20H22N2O3/c23-18-16(7-8-17(21-18)15-5-2-1-3-6-15)19(24)22-11-4-9-20(13-22)10-12-25-14-20/h1-3,5-8H,4,9-14H2,(H,21,23)
InChIKeyOZVRPGONVGEAHP-UHFFFAOYSA-N
XLogP2.68
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one (CID 72876722) is 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one is O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCCC2(CCOC2)C1.
What is the InChIKey of 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one?
The InChIKey is OZVRPGONVGEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18-16(7-8-17(21-18)15-5-2-1-3-6-15)19(24)22-11-4-9-20(13-22)10-12-25-14-20/h1-3,5-8H,4,9-14H2,(H,21,23).
What are the key properties of 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one?
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 72876722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).