1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone

C17H20N2O2 — CID 119410925

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
SMILESN[C@@H]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1
InChIInChI=1S/C17H20N2O2/c18-14-4-5-19(9-14)17(20)8-13-10-21-16-7-12-3-1-2-11(12)6-15(13)16/h6-7,10,14H,1-5,8-9,18H2/t14-/m1/s1
InChIKeyKJAQXLIWEFHLQN-CQSZACIVSA-N
MW284.36 g/mol
LogP2.02
Rot. Bonds2

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone (PubChem CID 119410925) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
PubChem CID119410925
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
SMILESN[C@@H]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1
InChIInChI=1S/C17H20N2O2/c18-14-4-5-19(9-14)17(20)8-13-10-21-16-7-12-3-1-2-11(12)6-15(13)16/h6-7,10,14H,1-5,8-9,18H2/t14-/m1/s1
InChIKeyKJAQXLIWEFHLQN-CQSZACIVSA-N
XLogP2.02
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone with MolForge

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119379053
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119518463
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645902
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78771248
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 55338053
1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone
CID 110488719
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42885973
4-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006770
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone;hydrochloride
CID 120744335
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(4-hydroxy-9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
CID 154867338
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 124611637

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone (CID 119410925) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone is N[C@@H]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
The InChIKey is KJAQXLIWEFHLQN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-14-4-5-19(9-14)17(20)8-13-10-21-16-7-12-3-1-2-11(12)6-15(13)16/h6-7,10,14H,1-5,8-9,18H2/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone is sourced from PubChem (CID 119410925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).