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

C12H22N2O2 — CID 165475741

IUPAC1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCCC(=O)N1CC(C)OC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-11(15)14-8-10(2)16-12(9-14)4-6-13-7-5-12/h10,13H,3-9H2,1-2H3
InChIKeyWEPLLCOSMISUAH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds1

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

1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one (PubChem CID 165475741) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
PubChem CID165475741
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCCC(=O)N1CC(C)OC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-11(15)14-8-10(2)16-12(9-14)4-6-13-7-5-12/h10,13H,3-9H2,1-2H3
InChIKeyWEPLLCOSMISUAH-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
The IUPAC name of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one (CID 165475741) is 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
The canonical SMILES for 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one is CCC(=O)N1CC(C)OC2(CCNCC2)C1.
What is the InChIKey of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
The InChIKey is WEPLLCOSMISUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-11(15)14-8-10(2)16-12(9-14)4-6-13-7-5-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one is sourced from PubChem (CID 165475741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).