1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one

C13H23NO — CID 20622552

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H23NO/c1-2-12(15)14-10-8-13(9-11-14)6-4-3-5-7-13/h2-11H2,1H3
InChIKeyYSLCASZWYDONKT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds1

About 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one

1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one (PubChem CID 20622552) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
PubChem CID20622552
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H23NO/c1-2-12(15)14-10-8-13(9-11-14)6-4-3-5-7-13/h2-11H2,1H3
InChIKeyYSLCASZWYDONKT-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one (CID 20622552) is 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one is CCC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
The InChIKey is YSLCASZWYDONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-12(15)14-10-8-13(9-11-14)6-4-3-5-7-13/h2-11H2,1H3.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one is sourced from PubChem (CID 20622552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).