1-(8-azaspiro[4.5]decan-8-yl)propan-2-one

C12H21NO — CID 63158473

IUPAC1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
SMILESCC(=O)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C12H21NO/c1-11(14)10-13-8-6-12(7-9-13)4-2-3-5-12/h2-10H2,1H3
InChIKeyRTKNDQNEFRJLFD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds2

About 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one

1-(8-azaspiro[4.5]decan-8-yl)propan-2-one (PubChem CID 63158473) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
PubChem CID63158473
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
SMILESCC(=O)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C12H21NO/c1-11(14)10-13-8-6-12(7-9-13)4-2-3-5-12/h2-10H2,1H3
InChIKeyRTKNDQNEFRJLFD-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one (CID 63158473) is 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one is CC(=O)CN1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one?
The InChIKey is RTKNDQNEFRJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(14)10-13-8-6-12(7-9-13)4-2-3-5-12/h2-10H2,1H3.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one?
1-(8-azaspiro[4.5]decan-8-yl)propan-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)propan-2-one is sourced from PubChem (CID 63158473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).