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

C13H24N2O2 — CID 66783792

IUPAC4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC(CC)N1CC2(CCNCC2)OCC1=O
InChIInChI=1S/C13H24N2O2/c1-3-11(4-2)15-10-13(17-9-12(15)16)5-7-14-8-6-13/h11,14H,3-10H2,1-2H3
InChIKeyCQASNTGUFTZLLR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

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

4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783792) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783792
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC(CC)N1CC2(CCNCC2)OCC1=O
InChIInChI=1S/C13H24N2O2/c1-3-11(4-2)15-10-13(17-9-12(15)16)5-7-14-8-6-13/h11,14H,3-10H2,1-2H3
InChIKeyCQASNTGUFTZLLR-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783792) is 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCC(CC)N1CC2(CCNCC2)OCC1=O.
What is the InChIKey of 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CQASNTGUFTZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-11(4-2)15-10-13(17-9-12(15)16)5-7-14-8-6-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).