1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone

C11H20N2O — CID 58436688

IUPAC1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)C1CCC2(CCNCC2)NC1
InChIInChI=1S/C11H20N2O/c1-9(14)10-2-3-11(13-8-10)4-6-12-7-5-11/h10,12-13H,2-8H2,1H3
InChIKeyQPCPQZXFDFSBMS-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.70
Rot. Bonds1

About 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone

1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 58436688) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID58436688
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)C1CCC2(CCNCC2)NC1
InChIInChI=1S/C11H20N2O/c1-9(14)10-2-3-11(13-8-10)4-6-12-7-5-11/h10,12-13H,2-8H2,1H3
InChIKeyQPCPQZXFDFSBMS-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone 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-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 58436688) is 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone is CC(=O)C1CCC2(CCNCC2)NC1.
What is the InChIKey of 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is QPCPQZXFDFSBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(14)10-2-3-11(13-8-10)4-6-12-7-5-11/h10,12-13H,2-8H2,1H3.
What are the key properties of 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone?
1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 58436688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).