3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one

C11H13NO — CID 20720242

IUPAC3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one
SMILESCCc1[nH]c(=O)c2c(c1C)C=CC2
InChIInChI=1S/C11H13NO/c1-3-10-7(2)8-5-4-6-9(8)11(13)12-10/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyRUPSWBXFJYHLIZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.82
Rot. Bonds1

About 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one

3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one (PubChem CID 20720242) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one
PubChem CID20720242
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one
SMILESCCc1[nH]c(=O)c2c(c1C)C=CC2
InChIInChI=1S/C11H13NO/c1-3-10-7(2)8-5-4-6-9(8)11(13)12-10/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyRUPSWBXFJYHLIZ-UHFFFAOYSA-N
XLogP1.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-one
CID 289261
1,6-Dimethylisoquinolin-3-ol
CID 3240963
4-methyl-1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one
CID 289262
1-Methylisoquinolin-3-ol
CID 3242031
2,4-Dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 3446569
5,6-Dihydro-1h-indol-2(4h)one
CID 12813893
1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083
3-Dihydro-indolin-2-one
CID 53966564
7h-Cyclopenta-[b]pyridinone
CID 129676053
Indeno-indolone
CID 140446081
3-ethyl-6-methyl-1H-pyridin-2-one
CID 2797876
5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one
CID 123235294

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one?
The IUPAC name of 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one (CID 20720242) is 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one.
What is the SMILES notation for 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one?
The canonical SMILES for 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one is CCc1[nH]c(=O)c2c(c1C)C=CC2.
What is the InChIKey of 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one?
The InChIKey is RUPSWBXFJYHLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-10-7(2)8-5-4-6-9(8)11(13)12-10/h4-5H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one?
3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one is sourced from PubChem (CID 20720242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).