2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one

C13H18N2O2 — CID 122442435

IUPAC2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1C=C(N2CC3(CCNCC3)CC2=O)CC1
InChIInChI=1S/C13H18N2O2/c16-11-2-1-10(7-11)15-9-13(8-12(15)17)3-5-14-6-4-13/h7,14H,1-6,8-9H2
InChIKeyWBHHDJUTCAWWAZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.84
Rot. Bonds1

About 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one

2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 122442435) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID122442435
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1C=C(N2CC3(CCNCC3)CC2=O)CC1
InChIInChI=1S/C13H18N2O2/c16-11-2-1-10(7-11)15-9-13(8-12(15)17)3-5-14-6-4-13/h7,14H,1-6,8-9H2
InChIKeyWBHHDJUTCAWWAZ-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 122442435) is 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one is O=C1C=C(N2CC3(CCNCC3)CC2=O)CC1.
What is the InChIKey of 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WBHHDJUTCAWWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-2-1-10(7-11)15-9-13(8-12(15)17)3-5-14-6-4-13/h7,14H,1-6,8-9H2.
What are the key properties of 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 234.30 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 122442435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).