2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one

C16H24N2O2 — CID 134303891

IUPAC2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one
SMILESNCCC1(c2cc(=O)cc[nH]2)CCOC2(CCCC2)C1
InChIInChI=1S/C16H24N2O2/c17-8-6-15(14-11-13(19)3-9-18-14)7-10-20-16(12-15)4-1-2-5-16/h3,9,11H,1-2,4-8,10,12,17H2,(H,18,19)
InChIKeyGMSLGZAZRVMEIG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds3

About 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one

2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one (PubChem CID 134303891) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one
PubChem CID134303891
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one
SMILESNCCC1(c2cc(=O)cc[nH]2)CCOC2(CCCC2)C1
InChIInChI=1S/C16H24N2O2/c17-8-6-15(14-11-13(19)3-9-18-14)7-10-20-16(12-15)4-1-2-5-16/h3,9,11H,1-2,4-8,10,12,17H2,(H,18,19)
InChIKeyGMSLGZAZRVMEIG-UHFFFAOYSA-N
XLogP2.08
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one?
The IUPAC name of 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one (CID 134303891) is 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one is NCCC1(c2cc(=O)cc[nH]2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one?
The InChIKey is GMSLGZAZRVMEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-8-6-15(14-11-13(19)3-9-18-14)7-10-20-16(12-15)4-1-2-5-16/h3,9,11H,1-2,4-8,10,12,17H2,(H,18,19).
What are the key properties of 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one?
2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-aminoethyl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyridin-4-one is sourced from PubChem (CID 134303891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).