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

C15H22N2O2 — CID 122442461

IUPAC2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC1=C(N2CCCC3(CCNCC3)C2=O)CCC1=O
InChIInChI=1S/C15H22N2O2/c1-11-12(3-4-13(11)18)17-10-2-5-15(14(17)19)6-8-16-9-7-15/h16H,2-10H2,1H3
InChIKeyKLXVFDDKEDXASM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds1

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

2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 122442461) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID122442461
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCC1=C(N2CCCC3(CCNCC3)C2=O)CCC1=O
InChIInChI=1S/C15H22N2O2/c1-11-12(3-4-13(11)18)17-10-2-5-15(14(17)19)6-8-16-9-7-15/h16H,2-10H2,1H3
InChIKeyKLXVFDDKEDXASM-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 122442461) is 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is CC1=C(N2CCCC3(CCNCC3)C2=O)CCC1=O.
What is the InChIKey of 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is KLXVFDDKEDXASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-12(3-4-13(11)18)17-10-2-5-15(14(17)19)6-8-16-9-7-15/h16H,2-10H2,1H3.
What are the key properties of 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxocyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 122442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).