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

C17H17NO2 — CID 115533443

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1CCc2cccnc21
InChIInChI=1S/C17H17NO2/c1-2-20-15-8-4-3-7-13(15)17(19)14-10-9-12-6-5-11-18-16(12)14/h3-8,11,14H,2,9-10H2,1H3
InChIKeyRFOJWRLJAKRGHR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.39
Rot. Bonds4

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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone (PubChem CID 115533443) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone
PubChem CID115533443
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1CCc2cccnc21
InChIInChI=1S/C17H17NO2/c1-2-20-15-8-4-3-7-13(15)17(19)14-10-9-12-6-5-11-18-16(12)14/h3-8,11,14H,2,9-10H2,1H3
InChIKeyRFOJWRLJAKRGHR-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
CID 115783768
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410298
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797
(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(2-methoxyphenyl)ethanone
CID 79746182
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
2-butan-2-ylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745420
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone (CID 115533443) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone?
The InChIKey is RFOJWRLJAKRGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-15-8-4-3-7-13(15)17(19)14-10-9-12-6-5-11-18-16(12)14/h3-8,11,14H,2,9-10H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethoxyphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.39, 4 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-ethoxyphenyl)methanone is sourced from PubChem (CID 115533443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).