7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one

C13H23NO — CID 107430581

IUPAC7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
SMILESCC(C)CC1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C13H23NO/c1-10(2)6-11-4-3-5-13(7-11)8-12(15)14-9-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyHAHGUIOAJVGRFP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds2

About 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one

7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one (PubChem CID 107430581) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
PubChem CID107430581
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
SMILESCC(C)CC1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C13H23NO/c1-10(2)6-11-4-3-5-13(7-11)8-12(15)14-9-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyHAHGUIOAJVGRFP-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

7-amino-2-azaspiro[4.5]decan-3-one;hydrochloride
CID 170913743
7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874737
7-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 107429486
7-cyclopropyl-2-azaspiro[4.5]decan-3-one
CID 66109112
10-ethyl-2-azaspiro[5.5]undecan-3-one
CID 102737330
8-amino-2-azaspiro[4.4]nonan-3-one;hydrochloride
CID 134818861
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
7,9-dimethyl-2-azaspiro[4.5]decan-3-one
CID 66109117
(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 97010257
(1R,5S)-spiro[bicyclo[3.2.0]heptane-3,4'-pyrrolidine]-2'-one
CID 59093997
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
2-cyclopropylimino-7-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-4-one
CID 136734054

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one (CID 107430581) is 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one is CC(C)CC1CCCC2(CNC(=O)C2)C1.
What is the InChIKey of 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is HAHGUIOAJVGRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)6-11-4-3-5-13(7-11)8-12(15)14-9-13/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 107430581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).