(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one

C12H22N2O — CID 131543216

IUPAC(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
SMILESCC(C)[C@@H]1NC2(CCCCC2)CNC1=O
InChIInChI=1S/C12H22N2O/c1-9(2)10-11(15)13-8-12(14-10)6-4-3-5-7-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyMAWIIVDHKKJSHJ-JTQLQIEISA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds1

About (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one

(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one (PubChem CID 131543216) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
PubChem CID131543216
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
SMILESCC(C)[C@@H]1NC2(CCCCC2)CNC1=O
InChIInChI=1S/C12H22N2O/c1-9(2)10-11(15)13-8-12(14-10)6-4-3-5-7-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyMAWIIVDHKKJSHJ-JTQLQIEISA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-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 (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one (CID 131543216) is (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one is CC(C)[C@@H]1NC2(CCCCC2)CNC1=O.
What is the InChIKey of (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
The InChIKey is MAWIIVDHKKJSHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10-11(15)13-8-12(14-10)6-4-3-5-7-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one?
(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131543216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).