9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C11H20N2O2 — CID 22055662

IUPAC9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C11H20N2O2/c1-9(2)13-5-3-11(4-6-13)8-12-10(14)7-15-11/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyMZIXFQUTFULQBX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds1

About 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 22055662) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID22055662
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C11H20N2O2/c1-9(2)13-5-3-11(4-6-13)8-12-10(14)7-15-11/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyMZIXFQUTFULQBX-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 22055662) is 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1CCC2(CC1)CNC(=O)CO2.
What is the InChIKey of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MZIXFQUTFULQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)13-5-3-11(4-6-13)8-12-10(14)7-15-11/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 22055662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).