2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one

C14H20N2O2 — CID 122452774

IUPAC2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1C=C(N2CCCC3(CCNCC3)C2=O)CC1
InChIInChI=1S/C14H20N2O2/c17-12-3-2-11(10-12)16-9-1-4-14(13(16)18)5-7-15-8-6-14/h10,15H,1-9H2
InChIKeyAYIRDQYHTYINJP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds1

About 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one

2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 122452774) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID122452774
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1C=C(N2CCCC3(CCNCC3)C2=O)CC1
InChIInChI=1S/C14H20N2O2/c17-12-3-2-11(10-12)16-9-1-4-14(13(16)18)5-7-15-8-6-14/h10,15H,1-9H2
InChIKeyAYIRDQYHTYINJP-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
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)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 122452774) is 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is O=C1C=C(N2CCCC3(CCNCC3)C2=O)CC1.
What is the InChIKey of 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is AYIRDQYHTYINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-12-3-2-11(10-12)16-9-1-4-14(13(16)18)5-7-15-8-6-14/h10,15H,1-9H2.
What are the key properties of 2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.23, 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)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 122452774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).