6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone

C13H15NO3S — CID 113289685

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)C1CCc2cccnc21
InChIInChI=1S/C13H15NO3S/c15-13(10-5-7-18(16,17)8-10)11-4-3-9-2-1-6-14-12(9)11/h1-2,6,10-11H,3-5,7-8H2
InChIKeyHNZQXSRJTCBBAR-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.12
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 113289685) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
PubChem CID113289685
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)C1CCc2cccnc21
InChIInChI=1S/C13H15NO3S/c15-13(10-5-7-18(16,17)8-10)11-4-3-9-2-1-6-14-12(9)11/h1-2,6,10-11H,3-5,7-8H2
InChIKeyHNZQXSRJTCBBAR-UHFFFAOYSA-N
XLogP1.12
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
(1,1-dioxothiolan-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 64905179
3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79733157
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 115336720
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116568328
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594595
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
CID 115783806

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone (CID 113289685) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone is O=C(C1CCS(=O)(=O)C1)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is HNZQXSRJTCBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-13(10-5-7-18(16,17)8-10)11-4-3-9-2-1-6-14-12(9)11/h1-2,6,10-11H,3-5,7-8H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 113289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).