5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one

C15H22N2O2 — CID 102897974

IUPAC5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC2CCC3(CCCC3)O2)cc1N
InChIInChI=1S/C15H22N2O2/c1-11-8-14(18)17(10-13(11)16)9-12-4-7-15(19-12)5-2-3-6-15/h8,10,12H,2-7,9,16H2,1H3
InChIKeyGYWQCSIIPCSYBM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.23
Rot. Bonds2

About 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one

5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one (PubChem CID 102897974) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
PubChem CID102897974
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(=O)n(CC2CCC3(CCCC3)O2)cc1N
InChIInChI=1S/C15H22N2O2/c1-11-8-14(18)17(10-13(11)16)9-12-4-7-15(19-12)5-2-3-6-15/h8,10,12H,2-7,9,16H2,1H3
InChIKeyGYWQCSIIPCSYBM-UHFFFAOYSA-N
XLogP2.23
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one (CID 102897974) is 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one is Cc1cc(=O)n(CC2CCC3(CCCC3)O2)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one?
The InChIKey is GYWQCSIIPCSYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-14(18)17(10-13(11)16)9-12-4-7-15(19-12)5-2-3-6-15/h8,10,12H,2-7,9,16H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one?
5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 102897974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).