9-propan-2-yl-2-azaspiro[5.5]undecan-3-one

C13H23NO — CID 102737321

IUPAC9-propan-2-yl-2-azaspiro[5.5]undecan-3-one
SMILESCC(C)C1CCC2(CCC(=O)NC2)CC1
InChIInChI=1S/C13H23NO/c1-10(2)11-3-6-13(7-4-11)8-5-12(15)14-9-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyZDCZXFYPAPYMED-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds1

About 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one

9-propan-2-yl-2-azaspiro[5.5]undecan-3-one (PubChem CID 102737321) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-propan-2-yl-2-azaspiro[5.5]undecan-3-one
PubChem CID102737321
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name9-propan-2-yl-2-azaspiro[5.5]undecan-3-one
SMILESCC(C)C1CCC2(CCC(=O)NC2)CC1
InChIInChI=1S/C13H23NO/c1-10(2)11-3-6-13(7-4-11)8-5-12(15)14-9-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyZDCZXFYPAPYMED-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-azaspiro[5.7]tridecan-3-one
CID 102737265
8,10-dimethyl-2-azaspiro[5.5]undecan-3-one
CID 102737207
10-ethyl-2-azaspiro[5.5]undecan-3-one
CID 102737330
5-cyclopentyl-5-methylpiperidin-2-one
CID 102737198
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
4-methyl-7-azaspiro[4.5]decan-8-one
CID 102737251
(5R)-5-(hydroxymethyl)-5-methylpiperidin-2-one
CID 125181047
7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
CID 137390183
2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
CID 102737324
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98896652
3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
CID 170754482
4-propan-2-ylpyrrolidin-2-one
CID 20976007

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one?
The IUPAC name of 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one (CID 102737321) is 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one is CC(C)C1CCC2(CCC(=O)NC2)CC1.
What is the InChIKey of 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one?
The InChIKey is ZDCZXFYPAPYMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11-3-6-13(7-4-11)8-5-12(15)14-9-13/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one?
9-propan-2-yl-2-azaspiro[5.5]undecan-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2-azaspiro[5.5]undecan-3-one is sourced from PubChem (CID 102737321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).