3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one

C19H20N2O2 — CID 128658185

IUPAC3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC2(CCCC2)C1c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-17-15(9-6-12-20-17)18(23)21-13-19(10-4-5-11-19)16(21)14-7-2-1-3-8-14/h1-3,6-9,12,16H,4-5,10-11,13H2,(H,20,22)
InChIKeyHZKZOJKKKFRBDH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds2

About 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one

3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one (PubChem CID 128658185) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
PubChem CID128658185
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC2(CCCC2)C1c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-17-15(9-6-12-20-17)18(23)21-13-19(10-4-5-11-19)16(21)14-7-2-1-3-8-14/h1-3,6-9,12,16H,4-5,10-11,13H2,(H,20,22)
InChIKeyHZKZOJKKKFRBDH-UHFFFAOYSA-N
XLogP3.13
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one (CID 128658185) is 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CC2(CCCC2)C1c1ccccc1.
What is the InChIKey of 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one?
The InChIKey is HZKZOJKKKFRBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-17-15(9-6-12-20-17)18(23)21-13-19(10-4-5-11-19)16(21)14-7-2-1-3-8-14/h1-3,6-9,12,16H,4-5,10-11,13H2,(H,20,22).
What are the key properties of 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one?
3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 128658185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).