1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone

C12H22N2O2 — CID 71147907

IUPAC1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone
SMILESCCN1CCC2(CCN(C(=O)CO)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-13-6-3-12(10-13)4-7-14(8-5-12)11(16)9-15/h15H,2-10H2,1H3
InChIKeyDFYYEXSZNMBCMY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds2

About 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone

1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone (PubChem CID 71147907) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone
PubChem CID71147907
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone
SMILESCCN1CCC2(CCN(C(=O)CO)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-13-6-3-12(10-13)4-7-14(8-5-12)11(16)9-15/h15H,2-10H2,1H3
InChIKeyDFYYEXSZNMBCMY-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone (CID 71147907) is 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone is CCN1CCC2(CCN(C(=O)CO)CC2)C1.
What is the InChIKey of 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone?
The InChIKey is DFYYEXSZNMBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-13-6-3-12(10-13)4-7-14(8-5-12)11(16)9-15/h15H,2-10H2,1H3.
What are the key properties of 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone?
1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone has a molecular weight of 226.32 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2,8-diazaspiro[4.5]decan-8-yl)-2-hydroxyethanone is sourced from PubChem (CID 71147907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).