1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one

C18H26N2O — CID 79733271

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)C1CCc2cccnc21)N1CCCC1
InChIInChI=1S/C18H26N2O/c1-3-18(4-2,20-12-5-6-13-20)17(21)15-10-9-14-8-7-11-19-16(14)15/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3
InChIKeyGULWVQWVINKIHH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.34
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 79733271) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
PubChem CID79733271
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)C1CCc2cccnc21)N1CCCC1
InChIInChI=1S/C18H26N2O/c1-3-18(4-2,20-12-5-6-13-20)17(21)15-10-9-14-8-7-11-19-16(14)15/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3
InChIKeyGULWVQWVINKIHH-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one with MolForge

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
2-butan-2-ylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745420
2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one
CID 116598728
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 122134812
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 79732570
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
CID 116554606
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745664
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
N-[(2-methylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 138998695
2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79739946
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one (CID 79733271) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one is CCC(CC)(C(=O)C1CCc2cccnc21)N1CCCC1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is GULWVQWVINKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-18(4-2,20-12-5-6-13-20)17(21)15-10-9-14-8-7-11-19-16(14)15/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 79733271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).