1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

C18H24N2O — CID 80572891

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)N1CCCC2CCCC21
InChIInChI=1S/C18H24N2O/c21-18(20-10-4-6-13-5-3-9-17(13)20)11-14-12-19-16-8-2-1-7-15(14)16/h1-2,7-8,13-14,17,19H,3-6,9-12H2
InChIKeyCBQLKRIRMTWHEU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.38
Rot. Bonds2

About 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 80572891) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID80572891
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)N1CCCC2CCCC21
InChIInChI=1S/C18H24N2O/c21-18(20-10-4-6-13-5-3-9-17(13)20)11-14-12-19-16-8-2-1-7-15(14)16/h1-2,7-8,13-14,17,19H,3-6,9-12H2
InChIKeyCBQLKRIRMTWHEU-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 80572891) is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(CC1CNc2ccccc21)N1CCCC2CCCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is CBQLKRIRMTWHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(20-10-4-6-13-5-3-9-17(13)20)11-14-12-19-16-8-2-1-7-15(14)16/h1-2,7-8,13-14,17,19H,3-6,9-12H2.
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 80572891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).