5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one

C17H15ClN2O — CID 154934904

IUPAC5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one
SMILESCC1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC2
InChIInChI=1S/C17H15ClN2O/c1-10-15-7-12(18)5-6-14(15)17(21)20(10)16-9-19-8-11-3-2-4-13(11)16/h5-10H,2-4H2,1H3
InChIKeyLEFOHQLXPRIELU-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.95
Rot. Bonds1

About 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one

5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one (PubChem CID 154934904) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one
PubChem CID154934904
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one
SMILESCC1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC2
InChIInChI=1S/C17H15ClN2O/c1-10-15-7-12(18)5-6-14(15)17(21)20(10)16-9-19-8-11-3-2-4-13(11)16/h5-10H,2-4H2,1H3
InChIKeyLEFOHQLXPRIELU-UHFFFAOYSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one?
The IUPAC name of 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one (CID 154934904) is 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one is CC1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC2.
What is the InChIKey of 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one?
The InChIKey is LEFOHQLXPRIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-15-7-12(18)5-6-14(15)17(21)20(10)16-9-19-8-11-3-2-4-13(11)16/h5-10H,2-4H2,1H3.
What are the key properties of 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one?
5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one has a molecular weight of 298.77 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)-3-methyl-3H-isoindol-1-one is sourced from PubChem (CID 154934904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).