1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one

C12H21NO2 — CID 106874742

IUPAC1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one
SMILESCCC1NC(=O)CC12CCCC(OC)C2
InChIInChI=1S/C12H21NO2/c1-3-10-12(8-11(14)13-10)6-4-5-9(7-12)15-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyUYTLSDUJHDIRIH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds2

About 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one

1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one (PubChem CID 106874742) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one
PubChem CID106874742
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one
SMILESCCC1NC(=O)CC12CCCC(OC)C2
InChIInChI=1S/C12H21NO2/c1-3-10-12(8-11(14)13-10)6-4-5-9(7-12)15-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyUYTLSDUJHDIRIH-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one (CID 106874742) is 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one is CCC1NC(=O)CC12CCCC(OC)C2.
What is the InChIKey of 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
The InChIKey is UYTLSDUJHDIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-10-12(8-11(14)13-10)6-4-5-9(7-12)15-2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one has a molecular weight of 211.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 106874742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).