5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid

C17H15NO4 — CID 22769045

IUPAC5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
SMILESCC(=O)OC1(C(=O)O)CCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C17H15NO4/c1-11(19)22-17(16(20)21)10-9-15-13(17)7-8-14(18-15)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyKXBLSYDLIVRYQX-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.54
Rot. Bonds3

About 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid

5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid (PubChem CID 22769045) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
PubChem CID22769045
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
SMILESCC(=O)OC1(C(=O)O)CCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C17H15NO4/c1-11(19)22-17(16(20)21)10-9-15-13(17)7-8-14(18-15)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyKXBLSYDLIVRYQX-UHFFFAOYSA-N
XLogP2.54
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The IUPAC name of 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid (CID 22769045) is 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The canonical SMILES for 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid is CC(=O)OC1(C(=O)O)CCc2nc(-c3ccccc3)ccc21.
What is the InChIKey of 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
The InChIKey is KXBLSYDLIVRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)22-17(16(20)21)10-9-15-13(17)7-8-14(18-15)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid?
5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxy-2-phenyl-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid is sourced from PubChem (CID 22769045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).