3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one

C10H13NO — CID 5325714

IUPAC3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
SMILESCCc1cc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C10H13NO/c1-2-8-6-7-4-3-5-9(7)10(12)11-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeyMQXWNNGYCYSWQS-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.43
Rot. Bonds1

About 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one

3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one (PubChem CID 5325714) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
PubChem CID5325714
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
SMILESCCc1cc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C10H13NO/c1-2-8-6-7-4-3-5-9(7)10(12)11-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeyMQXWNNGYCYSWQS-UHFFFAOYSA-N
XLogP1.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The IUPAC name of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one (CID 5325714) is 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one.
What is the SMILES notation for 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The canonical SMILES for 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one is CCc1cc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The InChIKey is MQXWNNGYCYSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-6-7-4-3-5-9(7)10(12)11-8/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one is sourced from PubChem (CID 5325714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).