2-azaspiro[5.7]tridecan-3-one

C12H21NO — CID 102737265

IUPAC2-azaspiro[5.7]tridecan-3-one
SMILESO=C1CCC2(CCCCCCC2)CN1
InChIInChI=1S/C12H21NO/c14-11-6-9-12(10-13-11)7-4-2-1-3-5-8-12/h1-10H2,(H,13,14)
InChIKeyRWFIPBZORAPZLY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.63
Rot. Bonds

About 2-azaspiro[5.7]tridecan-3-one

2-azaspiro[5.7]tridecan-3-one (PubChem CID 102737265) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-azaspiro[5.7]tridecan-3-one.

Molecular Properties

Compound Name2-azaspiro[5.7]tridecan-3-one
PubChem CID102737265
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-azaspiro[5.7]tridecan-3-one
SMILESO=C1CCC2(CCCCCCC2)CN1
InChIInChI=1S/C12H21NO/c14-11-6-9-12(10-13-11)7-4-2-1-3-5-8-12/h1-10H2,(H,13,14)
InChIKeyRWFIPBZORAPZLY-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dioxo-2λ6-thia-8-azaspiro[5.5]undecan-9-one
CID 102737324
2-azaspiro[5.5]undecan-3-ylidenetungsten
CID 177269402
9-propan-2-yl-2-azaspiro[5.5]undecan-3-one
CID 102737321
8,10-dimethyl-2-azaspiro[5.5]undecan-3-one
CID 102737207
10-ethyl-2-azaspiro[5.5]undecan-3-one
CID 102737330
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
3-azaspiro[5.6]dodecane-2,4-dione
CID 46911960
1-azadispiro[2.1.55.33]tridecan-13-one
CID 135365228
3,9-diazaspiro[5.6]dodecan-10-one
CID 52644115
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98896652
5-azaspiro[2.4]heptan-6-one;molecular hydrogen
CID 171823413
5-cyclopentyl-5-methylpiperidin-2-one
CID 102737198

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.7]tridecan-3-one?
The IUPAC name of 2-azaspiro[5.7]tridecan-3-one (CID 102737265) is 2-azaspiro[5.7]tridecan-3-one.
What is the SMILES notation for 2-azaspiro[5.7]tridecan-3-one?
The canonical SMILES for 2-azaspiro[5.7]tridecan-3-one is O=C1CCC2(CCCCCCC2)CN1.
What is the InChIKey of 2-azaspiro[5.7]tridecan-3-one?
The InChIKey is RWFIPBZORAPZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-11-6-9-12(10-13-11)7-4-2-1-3-5-8-12/h1-10H2,(H,13,14).
What are the key properties of 2-azaspiro[5.7]tridecan-3-one?
2-azaspiro[5.7]tridecan-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.7]tridecan-3-one is sourced from PubChem (CID 102737265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).