3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione

C14H19NO2 — CID 139692425

IUPAC3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione
SMILESO=C1NC2=C(CCC2)C(=O)C1C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13-10-7-4-8-11(10)15-14(17)12(13)9-5-2-1-3-6-9/h9,12H,1-8H2,(H,15,17)
InChIKeyUTOHOXWVJOBYTH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds1

About 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione (PubChem CID 139692425) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione
PubChem CID139692425
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione
SMILESO=C1NC2=C(CCC2)C(=O)C1C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13-10-7-4-8-11(10)15-14(17)12(13)9-5-2-1-3-6-9/h9,12H,1-8H2,(H,15,17)
InChIKeyUTOHOXWVJOBYTH-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione (CID 139692425) is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione is O=C1NC2=C(CCC2)C(=O)C1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione?
The InChIKey is UTOHOXWVJOBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-10-7-4-8-11(10)15-14(17)12(13)9-5-2-1-3-6-9/h9,12H,1-8H2,(H,15,17).
What are the key properties of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione?
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione has a molecular weight of 233.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-2,4-dione is sourced from PubChem (CID 139692425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).