4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one

C12H13NO2 — CID 164650840

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one
SMILESO=C1COCC1C1CCc2cccnc21
InChIInChI=1S/C12H13NO2/c14-11-7-15-6-10(11)9-4-3-8-2-1-5-13-12(8)9/h1-2,5,9-10H,3-4,6-7H2
InChIKeyZFURCVCDOBFCTM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.33
Rot. Bonds1

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one (PubChem CID 164650840) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one
PubChem CID164650840
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one
SMILESO=C1COCC1C1CCc2cccnc21
InChIInChI=1S/C12H13NO2/c14-11-7-15-6-10(11)9-4-3-8-2-1-5-13-12(8)9/h1-2,5,9-10H,3-4,6-7H2
InChIKeyZFURCVCDOBFCTM-UHFFFAOYSA-N
XLogP1.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one (CID 164650840) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one is O=C1COCC1C1CCc2cccnc21.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one?
The InChIKey is ZFURCVCDOBFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-7-15-6-10(11)9-4-3-8-2-1-5-13-12(8)9/h1-2,5,9-10H,3-4,6-7H2.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one has a molecular weight of 203.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one is sourced from PubChem (CID 164650840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).