1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C17H23N3O — CID 102893113

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2NCC3CCCC32)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-19-9-10-20(15-8-3-2-7-14(15)19)17(21)16-13-6-4-5-12(13)11-18-16/h2-3,7-8,12-13,16,18H,4-6,9-11H2,1H3
InChIKeyNMRPWPHHZYNOFX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.86
Rot. Bonds1

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 102893113) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID102893113
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)C2NCC3CCCC32)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-19-9-10-20(15-8-3-2-7-14(15)19)17(21)16-13-6-4-5-12(13)11-18-16/h2-3,7-8,12-13,16,18H,4-6,9-11H2,1H3
InChIKeyNMRPWPHHZYNOFX-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-4-methyl-N-phenylpentanamide
CID 2967437
N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 3237832
N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
CID 3240690
N-isobutyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738663
3-sec-butyl-3,4-dihydro-1H-quinoxalin-2-one
CID 50915973
2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-phenylacetamide
CID 4737199
(2S,3S)-3-Phenyl-2-(phenylamino)-1-(pyrrolidin-1-yl)butan-1-one
CID 172564232
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24709937
N-cyclopentyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 46273393
3-(1-acetylpiperidin-4-yl)-1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]propan-1-one
CID 164636894
(2S)-N-[(3aR,4S,6aS)-2-(4-fluorophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-(methylamino)pentanamide
CID 66996888
(2S)-N-[(3aR,4S,6aS)-2-(3-fluorophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-(methylamino)pentanamide
CID 66997391

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 102893113) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)C2NCC3CCCC32)c2ccccc21.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is NMRPWPHHZYNOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-9-10-20(15-8-3-2-7-14(15)19)17(21)16-13-6-4-5-12(13)11-18-16/h2-3,7-8,12-13,16,18H,4-6,9-11H2,1H3.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 102893113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).