4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C13H22N2O2 — CID 66783632

IUPAC4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1C1CCCC1
InChIInChI=1S/C13H22N2O2/c16-12-9-17-13(5-7-14-8-6-13)10-15(12)11-3-1-2-4-11/h11,14H,1-10H2
InChIKeyLBCSEIRJSSIWIB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds1

About 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783632) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783632
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1C1CCCC1
InChIInChI=1S/C13H22N2O2/c16-12-9-17-13(5-7-14-8-6-13)10-15(12)11-3-1-2-4-11/h11,14H,1-10H2
InChIKeyLBCSEIRJSSIWIB-UHFFFAOYSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783632) is 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNCC2)CN1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LBCSEIRJSSIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12-9-17-13(5-7-14-8-6-13)10-15(12)11-3-1-2-4-11/h11,14H,1-10H2.
What are the key properties of 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 238.33 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).