3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one

C15H22N2O2 — CID 102897962

IUPAC3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
SMILESNc1cccn(CC2CCC3(CCCCC3)O2)c1=O
InChIInChI=1S/C15H22N2O2/c16-13-5-4-10-17(14(13)18)11-12-6-9-15(19-12)7-2-1-3-8-15/h4-5,10,12H,1-3,6-9,11,16H2
InChIKeyYFHAIMCLNHBSDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds2

About 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one

3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one (PubChem CID 102897962) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
PubChem CID102897962
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
SMILESNc1cccn(CC2CCC3(CCCCC3)O2)c1=O
InChIInChI=1S/C15H22N2O2/c16-13-5-4-10-17(14(13)18)11-12-6-9-15(19-12)7-2-1-3-8-15/h4-5,10,12H,1-3,6-9,11,16H2
InChIKeyYFHAIMCLNHBSDM-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one (CID 102897962) is 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one is Nc1cccn(CC2CCC3(CCCCC3)O2)c1=O.
What is the InChIKey of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one?
The InChIKey is YFHAIMCLNHBSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-5-4-10-17(14(13)18)11-12-6-9-15(19-12)7-2-1-3-8-15/h4-5,10,12H,1-3,6-9,11,16H2.
What are the key properties of 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one?
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 102897962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).