2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone

C13H21NO2 — CID 71929593

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCC2CCCC21
InChIInChI=1S/C13H21NO2/c15-13(12-7-3-9-16-12)14-8-2-5-10-4-1-6-11(10)14/h10-12H,1-9H2
InChIKeyNWNQYUGWOHSSQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds1

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone (PubChem CID 71929593) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone
PubChem CID71929593
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCC2CCCC21
InChIInChI=1S/C13H21NO2/c15-13(12-7-3-9-16-12)14-8-2-5-10-4-1-6-11(10)14/h10-12H,1-9H2
InChIKeyNWNQYUGWOHSSQB-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone (CID 71929593) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCCC2CCCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone?
The InChIKey is NWNQYUGWOHSSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(12-7-3-9-16-12)14-8-2-5-10-4-1-6-11(10)14/h10-12H,1-9H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 71929593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).