1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone

C11H20N2O — CID 64975321

IUPAC1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone
SMILESCC(=O)N1CCNCC12CCCCC2
InChIInChI=1S/C11H20N2O/c1-10(14)13-8-7-12-9-11(13)5-3-2-4-6-11/h12H,2-9H2,1H3
InChIKeyPEEIBWAJAKHQBD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.14
Rot. Bonds

About 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone

1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone (PubChem CID 64975321) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone
PubChem CID64975321
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone
SMILESCC(=O)N1CCNCC12CCCCC2
InChIInChI=1S/C11H20N2O/c1-10(14)13-8-7-12-9-11(13)5-3-2-4-6-11/h12H,2-9H2,1H3
InChIKeyPEEIBWAJAKHQBD-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone?
The IUPAC name of 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone (CID 64975321) is 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone.
What is the SMILES notation for 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone?
The canonical SMILES for 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone is CC(=O)N1CCNCC12CCCCC2.
What is the InChIKey of 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone?
The InChIKey is PEEIBWAJAKHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(14)13-8-7-12-9-11(13)5-3-2-4-6-11/h12H,2-9H2,1H3.
What are the key properties of 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone?
1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazaspiro[5.5]undecan-1-yl)ethanone is sourced from PubChem (CID 64975321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).