1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one

C11H19NO2 — CID 130985328

IUPAC1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one
SMILESCOC(C)C1NC(=O)C12CCCCC2
InChIInChI=1S/C11H19NO2/c1-8(14-2)9-11(10(13)12-9)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDMVFJBFYZRYGTI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

About 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one

1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one (PubChem CID 130985328) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one
PubChem CID130985328
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one
SMILESCOC(C)C1NC(=O)C12CCCCC2
InChIInChI=1S/C11H19NO2/c1-8(14-2)9-11(10(13)12-9)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDMVFJBFYZRYGTI-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one (CID 130985328) is 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one is COC(C)C1NC(=O)C12CCCCC2.
What is the InChIKey of 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one?
The InChIKey is DMVFJBFYZRYGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(14-2)9-11(10(13)12-9)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one?
1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 130985328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).