1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone

C12H20N2O2 — CID 163898665

IUPAC1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone
SMILESCCN1C2(CC2)CN(C(=O)CO)CC12CC2
InChIInChI=1S/C12H20N2O2/c1-2-14-11(3-4-11)8-13(10(16)7-15)9-12(14)5-6-12/h15H,2-9H2,1H3
InChIKeyQHWPSHNAYHMUOI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.21
Rot. Bonds2

About 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone

1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone (PubChem CID 163898665) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone
PubChem CID163898665
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone
SMILESCCN1C2(CC2)CN(C(=O)CO)CC12CC2
InChIInChI=1S/C12H20N2O2/c1-2-14-11(3-4-11)8-13(10(16)7-15)9-12(14)5-6-12/h15H,2-9H2,1H3
InChIKeyQHWPSHNAYHMUOI-UHFFFAOYSA-N
XLogP0.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone (CID 163898665) is 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone is CCN1C2(CC2)CN(C(=O)CO)CC12CC2.
What is the InChIKey of 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone?
The InChIKey is QHWPSHNAYHMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-14-11(3-4-11)8-13(10(16)7-15)9-12(14)5-6-12/h15H,2-9H2,1H3.
What are the key properties of 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone?
1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone has a molecular weight of 224.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4,9-diazadispiro[2.1.25.33]decan-9-yl)-2-hydroxyethanone is sourced from PubChem (CID 163898665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).