1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone

C10H17NO — CID 90451350

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone
SMILESCC(=O)C1NCCC2CCCC21
InChIInChI=1S/C10H17NO/c1-7(12)10-9-4-2-3-8(9)5-6-11-10/h8-11H,2-6H2,1H3
InChIKeyJYZHZBREXGKJLE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.35
Rot. Bonds1

About 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone

1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone (PubChem CID 90451350) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone
PubChem CID90451350
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone
SMILESCC(=O)C1NCCC2CCCC21
InChIInChI=1S/C10H17NO/c1-7(12)10-9-4-2-3-8(9)5-6-11-10/h8-11H,2-6H2,1H3
InChIKeyJYZHZBREXGKJLE-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone (CID 90451350) is 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone is CC(=O)C1NCCC2CCCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone?
The InChIKey is JYZHZBREXGKJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)10-9-4-2-3-8(9)5-6-11-10/h8-11H,2-6H2,1H3.
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone?
1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone is sourced from PubChem (CID 90451350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).