3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C12H20N2O2 — CID 84789780

IUPAC3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1C1CCC1
InChIInChI=1S/C12H20N2O2/c15-11-14(10-3-1-4-10)9-12(16-11)5-2-7-13-8-6-12/h10,13H,1-9H2
InChIKeyMXPPOXYJFMWUBC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.50
Rot. Bonds1

About 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 84789780) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID84789780
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1C1CCC1
InChIInChI=1S/C12H20N2O2/c15-11-14(10-3-1-4-10)9-12(16-11)5-2-7-13-8-6-12/h10,13H,1-9H2
InChIKeyMXPPOXYJFMWUBC-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 84789780) is 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1OC2(CCCNCC2)CN1C1CCC1.
What is the InChIKey of 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is MXPPOXYJFMWUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-14(10-3-1-4-10)9-12(16-11)5-2-7-13-8-6-12/h10,13H,1-9H2.
What are the key properties of 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 84789780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).