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

C13H11NOS — CID 79745567

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)C1CCc2cccnc21
InChIInChI=1S/C13H11NOS/c15-13(10-5-7-16-8-10)11-4-3-9-2-1-6-14-12(9)11/h1-2,5-8,11H,3-4H2
InChIKeyAQSLACKWVAXQEK-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.06
Rot. Bonds2

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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone (PubChem CID 79745567) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
PubChem CID79745567
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)C1CCc2cccnc21
InChIInChI=1S/C13H11NOS/c15-13(10-5-7-16-8-10)11-4-3-9-2-1-6-14-12(9)11/h1-2,5-8,11H,3-4H2
InChIKeyAQSLACKWVAXQEK-UHFFFAOYSA-N
XLogP3.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(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
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
CID 115783796
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
CID 105115479
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
CID 79732735
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
CID 116601540
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
CID 113289685

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone (CID 79745567) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone?
The InChIKey is AQSLACKWVAXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-13(10-5-7-16-8-10)11-4-3-9-2-1-6-14-12(9)11/h1-2,5-8,11H,3-4H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone has a molecular weight of 229.30 g/mol, XLogP of 3.06, 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(thiophen-3-yl)methanone is sourced from PubChem (CID 79745567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).