6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate

C10H11NO2 — CID 13153316

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
SMILESCC(=O)OC1CCc2cccnc21
InChIInChI=1S/C10H11NO2/c1-7(12)13-9-5-4-8-3-2-6-11-10(8)9/h2-3,6,9H,4-5H2,1H3
InChIKeyOBVUPALDLPJGQG-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.63
Rot. Bonds1

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate (PubChem CID 13153316) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
PubChem CID13153316
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
SMILESCC(=O)OC1CCc2cccnc21
InChIInChI=1S/C10H11NO2/c1-7(12)13-9-5-4-8-3-2-6-11-10(8)9/h2-3,6,9H,4-5H2,1H3
InChIKeyOBVUPALDLPJGQG-UHFFFAOYSA-N
XLogP1.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate (CID 13153316) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate is CC(=O)OC1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate?
The InChIKey is OBVUPALDLPJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)13-9-5-4-8-3-2-6-11-10(8)9/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate has a molecular weight of 177.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate is sourced from PubChem (CID 13153316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).