1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one

C11H19NO2 — CID 5200367

IUPAC1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCOCCN1CCC(=O)C2CCCC21
InChIInChI=1S/C11H19NO2/c1-14-8-7-12-6-5-11(13)9-3-2-4-10(9)12/h9-10H,2-8H2,1H3
InChIKeyIUOLYOXUZNUQQK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.08
Rot. Bonds3

About 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one

1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one (PubChem CID 5200367) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
PubChem CID5200367
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCOCCN1CCC(=O)C2CCCC21
InChIInChI=1S/C11H19NO2/c1-14-8-7-12-6-5-11(13)9-3-2-4-10(9)12/h9-10H,2-8H2,1H3
InChIKeyIUOLYOXUZNUQQK-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The IUPAC name of 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one (CID 5200367) is 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one is COCCN1CCC(=O)C2CCCC21.
What is the InChIKey of 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The InChIKey is IUOLYOXUZNUQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-8-7-12-6-5-11(13)9-3-2-4-10(9)12/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one has a molecular weight of 197.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 5200367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).