1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one

C8H11NO — CID 164669516

IUPAC1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one
SMILESO=C1CCNC2=C1CCC2
InChIInChI=1S/C8H11NO/c10-8-4-5-9-7-3-1-2-6(7)8/h9H,1-5H2
InChIKeyNPHQBXNWCRMKMZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.99
Rot. Bonds

About 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one

1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one (PubChem CID 164669516) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one
PubChem CID164669516
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one
SMILESO=C1CCNC2=C1CCC2
InChIInChI=1S/C8H11NO/c10-8-4-5-9-7-3-1-2-6(7)8/h9H,1-5H2
InChIKeyNPHQBXNWCRMKMZ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one (CID 164669516) is 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one is O=C1CCNC2=C1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one?
The InChIKey is NPHQBXNWCRMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-4-5-9-7-3-1-2-6(7)8/h9H,1-5H2.
What are the key properties of 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one?
1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one has a molecular weight of 137.18 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 164669516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).