3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione

C13H21NO2 — CID 24971766

IUPAC3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione
SMILESCC(C)N1C(=O)C(C)(C)C12CCCCC2=O
InChIInChI=1S/C13H21NO2/c1-9(2)14-11(16)12(3,4)13(14)8-6-5-7-10(13)15/h9H,5-8H2,1-4H3
InChIKeyWKFXVWLRWLANTK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds1

About 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione

3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione (PubChem CID 24971766) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione
PubChem CID24971766
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione
SMILESCC(C)N1C(=O)C(C)(C)C12CCCCC2=O
InChIInChI=1S/C13H21NO2/c1-9(2)14-11(16)12(3,4)13(14)8-6-5-7-10(13)15/h9H,5-8H2,1-4H3
InChIKeyWKFXVWLRWLANTK-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1,4-Diacetyl-3-butyl-azetidin-2-one
CID 44319383
1-Tert-butyl-4-cyclohexylazetidine-2,3-dione
CID 166438371
3,3-Dimethyl-2-propan-2-yl-2-azaspiro[3.5]nonane-1,5-dione
CID 15548461
(7S)-2,2-dimethyl-7-propan-2-yl-1-azabicyclo[4.2.0]octane-3,8-dione
CID 70515730
N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide
CID 143104581
13-Propan-2-yl-13-azadispiro[5.0.57.26]tetradecane-8,14-dione
CID 11277052
3,3-Dimethyl-2-propan-2-yl-2-azaspiro[3.4]octane-1,5-dione
CID 15548460
(4R)-3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione
CID 21636188
1-[2-(Cyclohexanecarbonyl)azetidin-1-yl]ethanone
CID 84067653
N,N-dimethyl-3-oxo-2-propan-2-yl-2-azaspiro[3.5]nonane-1-carboxamide
CID 110204013
4,4-Dimethyl-3-pentanoyl-1-propan-2-ylazetidin-2-one
CID 122204095
2-(2-Oxopropyl)-2-azaspiro[3.5]nonan-3-one
CID 157537373

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione (CID 24971766) is 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione is CC(C)N1C(=O)C(C)(C)C12CCCCC2=O.
What is the InChIKey of 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione?
The InChIKey is WKFXVWLRWLANTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)14-11(16)12(3,4)13(14)8-6-5-7-10(13)15/h9H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione?
3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione has a molecular weight of 223.32 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-yl-1-azaspiro[3.5]nonane-2,5-dione is sourced from PubChem (CID 24971766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).