3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one

C13H18N2O3 — CID 118200526

IUPAC3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one
SMILESO=C1C=C(N2CCC3(CCNCC3)CC2=O)CO1
InChIInChI=1S/C13H18N2O3/c16-11-8-13(1-4-14-5-2-13)3-6-15(11)10-7-12(17)18-9-10/h7,14H,1-6,8-9H2
InChIKeyYMWGPZDHKNXQSC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.42
Rot. Bonds1

About 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one

3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one (PubChem CID 118200526) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one
PubChem CID118200526
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one
SMILESO=C1C=C(N2CCC3(CCNCC3)CC2=O)CO1
InChIInChI=1S/C13H18N2O3/c16-11-8-13(1-4-14-5-2-13)3-6-15(11)10-7-12(17)18-9-10/h7,14H,1-6,8-9H2
InChIKeyYMWGPZDHKNXQSC-UHFFFAOYSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-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 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one?
The IUPAC name of 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one (CID 118200526) is 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one.
What is the SMILES notation for 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one?
The canonical SMILES for 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one is O=C1C=C(N2CCC3(CCNCC3)CC2=O)CO1.
What is the InChIKey of 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one?
The InChIKey is YMWGPZDHKNXQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-8-13(1-4-14-5-2-13)3-6-15(11)10-7-12(17)18-9-10/h7,14H,1-6,8-9H2.
What are the key properties of 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one?
3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one has a molecular weight of 250.30 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-4-one is sourced from PubChem (CID 118200526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).