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

C11H19NO2 — CID 7201367

IUPAC(4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCOCCN1CCC(=O)[C@@H]2CCC[C@H]21
InChIInChI=1S/C11H19NO2/c1-14-8-7-12-6-5-11(13)9-3-2-4-10(9)12/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyIUOLYOXUZNUQQK-NXEZZACHSA-N
MW197.28 g/mol
LogP1.08
Rot. Bonds3

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

(4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one (PubChem CID 7201367) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name(4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
PubChem CID7201367
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCOCCN1CCC(=O)[C@@H]2CCC[C@H]21
InChIInChI=1S/C11H19NO2/c1-14-8-7-12-6-5-11(13)9-3-2-4-10(9)12/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyIUOLYOXUZNUQQK-NXEZZACHSA-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

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The IUPAC name of (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one (CID 7201367) is (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one is COCCN1CCC(=O)[C@@H]2CCC[C@H]21.
What is the InChIKey of (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
The InChIKey is IUOLYOXUZNUQQK-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one?
(4aR,7aR)-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 (4aR,7aR)-1-(2-methoxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 7201367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).