6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one

C9H16N2O2 — CID 83237719

IUPAC6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1CNC2(CC2)C1=O
InChIInChI=1S/C9H16N2O2/c1-2-13-6-5-11-7-10-9(3-4-9)8(11)12/h10H,2-7H2,1H3
InChIKeyANVUJXMSIZIDKQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds4

About 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83237719) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83237719
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCCN1CNC2(CC2)C1=O
InChIInChI=1S/C9H16N2O2/c1-2-13-6-5-11-7-10-9(3-4-9)8(11)12/h10H,2-7H2,1H3
InChIKeyANVUJXMSIZIDKQ-UHFFFAOYSA-N
XLogP-0.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83237719) is 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCCN1CNC2(CC2)C1=O.
What is the InChIKey of 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ANVUJXMSIZIDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-13-6-5-11-7-10-9(3-4-9)8(11)12/h10H,2-7H2,1H3.
What are the key properties of 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 184.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83237719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).