1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

C16H20N2O3 — CID 124611637

IUPAC1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3CC[C@H](CN)C3)coc2c1
InChIInChI=1S/C16H20N2O3/c1-20-13-2-3-14-12(10-21-15(14)7-13)6-16(19)18-5-4-11(8-17)9-18/h2-3,7,10-11H,4-6,8-9,17H2,1H3/t11-/m1/s1
InChIKeyGDMHYSYXAQOADY-LLVKDONJSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds4

About 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone (PubChem CID 124611637) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
PubChem CID124611637
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3CC[C@H](CN)C3)coc2c1
InChIInChI=1S/C16H20N2O3/c1-20-13-2-3-14-12(10-21-15(14)7-13)6-16(19)18-5-4-11(8-17)9-18/h2-3,7,10-11H,4-6,8-9,17H2,1H3/t11-/m1/s1
InChIKeyGDMHYSYXAQOADY-LLVKDONJSA-N
XLogP1.79
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 136560958
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 124611754
2-(6-methoxy-1-benzofuran-3-yl)-1-[(3R)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 96530007
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
4-hydroxy-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251257
(3R,4S)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167790991
(3R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687327
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 2664203

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone (CID 124611637) is 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone is COc1ccc2c(CC(=O)N3CC[C@H](CN)C3)coc2c1.
What is the InChIKey of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The InChIKey is GDMHYSYXAQOADY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-13-2-3-14-12(10-21-15(14)7-13)6-16(19)18-5-4-11(8-17)9-18/h2-3,7,10-11H,4-6,8-9,17H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone has a molecular weight of 288.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 124611637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).