1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one

C8H11NO — CID 164669321

IUPAC1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one
SMILESO=C1C=C2NCCCC2C1
InChIInChI=1S/C8H11NO/c10-7-4-6-2-1-3-9-8(6)5-7/h5-6,9H,1-4H2
InChIKeyDTHNONOYOZYDIX-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.84
Rot. Bonds

About 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one

1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one (PubChem CID 164669321) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one
PubChem CID164669321
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one
SMILESO=C1C=C2NCCCC2C1
InChIInChI=1S/C8H11NO/c10-7-4-6-2-1-3-9-8(6)5-7/h5-6,9H,1-4H2
InChIKeyDTHNONOYOZYDIX-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.84
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-hexahydrocyclopenta[b]pyridin-6-one?
The IUPAC name of 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one (CID 164669321) is 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one is O=C1C=C2NCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one?
The InChIKey is DTHNONOYOZYDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-7-4-6-2-1-3-9-8(6)5-7/h5-6,9H,1-4H2.
What are the key properties of 1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one?
1,2,3,4,4a,5-hexahydrocyclopenta[b]pyridin-6-one has a molecular weight of 137.18 g/mol, XLogP of 0.84, 0 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-hexahydrocyclopenta[b]pyridin-6-one is sourced from PubChem (CID 164669321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).