2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one

C10H16N2O — CID 164766019

IUPAC2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILES[3H]C(C)(C)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-7(2)8-11-9(13)10(12-8)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12,13)/i7T
InChIKeySCOOREQSLVDFGH-HKNMUYPKSA-N
MW182.26 g/mol
LogP1.48
Rot. Bonds1

About 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one

2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 164766019) has the molecular formula C10H16N2O and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID164766019
Molecular FormulaC10H16N2O
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILES[3H]C(C)(C)C1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-7(2)8-11-9(13)10(12-8)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12,13)/i7T
InChIKeySCOOREQSLVDFGH-HKNMUYPKSA-N
XLogP1.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(3,3-Difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574667
2-(3,3,3-Trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574754
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-(4-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619017
2-Butyl-3-(2-methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 11708608
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820
2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
CID 19422619
2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one
CID 19422621

Frequently Asked Questions

What is the IUPAC name of 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one (CID 164766019) is 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one is [3H]C(C)(C)C1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is SCOOREQSLVDFGH-HKNMUYPKSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8-11-9(13)10(12-8)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12,13)/i7T.
What are the key properties of 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one?
2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 182.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 164766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).