2,8-diazaspiro[5.5]undecan-1-one

C9H16N2O — CID 45074354

IUPAC2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCCNC2
InChIInChI=1S/C9H16N2O/c12-8-9(4-2-6-11-8)3-1-5-10-7-9/h10H,1-7H2,(H,11,12)
InChIKeyNXPRYCXVFFTXOK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.27
Rot. Bonds

About 2,8-diazaspiro[5.5]undecan-1-one

2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 45074354) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-1-one
PubChem CID45074354
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCCNC2
InChIInChI=1S/C9H16N2O/c12-8-9(4-2-6-11-8)3-1-5-10-7-9/h10H,1-7H2,(H,11,12)
InChIKeyNXPRYCXVFFTXOK-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,8-diazaspiro[5.5]undecan-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 2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-1-one (CID 45074354) is 2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-1-one is O=C1NCCCC12CCCNC2.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is NXPRYCXVFFTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8-9(4-2-6-11-8)3-1-5-10-7-9/h10H,1-7H2,(H,11,12).
What are the key properties of 2,8-diazaspiro[5.5]undecan-1-one?
2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 168.24 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 45074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).