1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone

C11H20N2O — CID 57448395

IUPAC1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C11H20N2O/c1-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3
InChIKeyIJAGJCNXGXEORG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds

About 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone

1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 57448395) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID57448395
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C11H20N2O/c1-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3
InChIKeyIJAGJCNXGXEORG-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 57448395) is 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone is CC(=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is IJAGJCNXGXEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(14)13-8-4-11(5-9-13)2-6-12-7-3-11/h12H,2-9H2,1H3.
What are the key properties of 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 57448395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).