(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one

C14H15NO2 — CID 135028717

IUPAC(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one
SMILESO=C1C(=C2CCCCC2)[C@H](O)c2cccnc21
InChIInChI=1S/C14H15NO2/c16-13-10-7-4-8-15-12(10)14(17)11(13)9-5-2-1-3-6-9/h4,7-8,13,16H,1-3,5-6H2/t13-/m1/s1
InChIKeyKIYBJZAXWVUMLY-CYBMUJFWSA-N
MW229.28 g/mol
LogP2.57
Rot. Bonds

About (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one

(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one (PubChem CID 135028717) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one.

Molecular Properties

Compound Name(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one
PubChem CID135028717
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one
SMILESO=C1C(=C2CCCCC2)[C@H](O)c2cccnc21
InChIInChI=1S/C14H15NO2/c16-13-10-7-4-8-15-12(10)14(17)11(13)9-5-2-1-3-6-9/h4,7-8,13,16H,1-3,5-6H2/t13-/m1/s1
InChIKeyKIYBJZAXWVUMLY-CYBMUJFWSA-N
XLogP2.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one?
The IUPAC name of (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one (CID 135028717) is (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one.
What is the SMILES notation for (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one?
The canonical SMILES for (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one is O=C1C(=C2CCCCC2)[C@H](O)c2cccnc21.
What is the InChIKey of (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one?
The InChIKey is KIYBJZAXWVUMLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13-10-7-4-8-15-12(10)14(17)11(13)9-5-2-1-3-6-9/h4,7-8,13,16H,1-3,5-6H2/t13-/m1/s1.
What are the key properties of (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one?
(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one has a molecular weight of 229.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one is sourced from PubChem (CID 135028717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).