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

C12H22N2O2 — CID 20522022

IUPAC4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)C1OC2(CCNCC2)CN(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)10-11(15)14(3)8-12(16-10)4-6-13-7-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyXSJKFYFXZQUJHC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds1

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

4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522022) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522022
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)C1OC2(CCNCC2)CN(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-9(2)10-11(15)14(3)8-12(16-10)4-6-13-7-5-12/h9-10,13H,4-8H2,1-3H3
InChIKeyXSJKFYFXZQUJHC-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522022) is 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)C1OC2(CCNCC2)CN(C)C1=O.
What is the InChIKey of 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XSJKFYFXZQUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)10-11(15)14(3)8-12(16-10)4-6-13-7-5-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 226.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).