3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C14H20N2O3 — CID 86709501

IUPAC3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCNCC3)CC2C)COC1=O
InChIInChI=1S/C14H20N2O3/c1-9-7-14(3-5-15-6-4-14)13(18)16(9)11-8-19-12(17)10(11)2/h9,15H,3-8H2,1-2H3
InChIKeyQBNQBZITOXOBKY-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.81
Rot. Bonds1

About 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 86709501) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID86709501
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCNCC3)CC2C)COC1=O
InChIInChI=1S/C14H20N2O3/c1-9-7-14(3-5-15-6-4-14)13(18)16(9)11-8-19-12(17)10(11)2/h9,15H,3-8H2,1-2H3
InChIKeyQBNQBZITOXOBKY-UHFFFAOYSA-N
XLogP0.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 86709501) is 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2C(=O)C3(CCNCC3)CC2C)COC1=O.
What is the InChIKey of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QBNQBZITOXOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-14(3-5-15-6-4-14)13(18)16(9)11-8-19-12(17)10(11)2/h9,15H,3-8H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 264.32 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 86709501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).