6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone

C14H17NO2 — CID 115783806

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1CCc2cccnc21
InChIInChI=1S/C14H17NO2/c1-9-11(6-8-17-9)14(16)12-5-4-10-3-2-7-15-13(10)12/h2-3,7,9,11-12H,4-6,8H2,1H3
InChIKeyWURALZGKCKLFLV-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone (PubChem CID 115783806) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
PubChem CID115783806
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1CCc2cccnc21
InChIInChI=1S/C14H17NO2/c1-9-11(6-8-17-9)14(16)12-5-4-10-3-2-7-15-13(10)12/h2-3,7,9,11-12H,4-6,8H2,1H3
InChIKeyWURALZGKCKLFLV-UHFFFAOYSA-N
XLogP2.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.11
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-(2-methyloxolan-3-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone (CID 115783806) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone?
The InChIKey is WURALZGKCKLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-11(6-8-17-9)14(16)12-5-4-10-3-2-7-15-13(10)12/h2-3,7,9,11-12H,4-6,8H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.11, 2 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-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115783806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).