2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone

C15H21NO2 — CID 102893676

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)CC2NCC3CCCC32)c(C)o1
InChIInChI=1S/C15H21NO2/c1-9-6-13(10(2)18-9)15(17)7-14-12-5-3-4-11(12)8-16-14/h6,11-12,14,16H,3-5,7-8H2,1-2H3
InChIKeyJFWVYKYEDJQTCK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone (PubChem CID 102893676) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone
PubChem CID102893676
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)CC2NCC3CCCC32)c(C)o1
InChIInChI=1S/C15H21NO2/c1-9-6-13(10(2)18-9)15(17)7-14-12-5-3-4-11(12)8-16-14/h6,11-12,14,16H,3-5,7-8H2,1-2H3
InChIKeyJFWVYKYEDJQTCK-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(furan-3-yl)ethanone
CID 102893836
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4-dimethylaniline
CID 102894459
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119740240

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone (CID 102893676) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone is Cc1cc(C(=O)CC2NCC3CCCC32)c(C)o1.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone?
The InChIKey is JFWVYKYEDJQTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-6-13(10(2)18-9)15(17)7-14-12-5-3-4-11(12)8-16-14/h6,11-12,14,16H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanone is sourced from PubChem (CID 102893676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).