2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C14H18N2O2 — CID 63068559

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESNC1CCN(CC(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H18N2O2/c15-12-3-5-16(8-12)9-13(17)10-1-2-14-11(7-10)4-6-18-14/h1-2,7,12H,3-6,8-9,15H2
InChIKeyWHILLLDDRDIQBL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.84
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 63068559) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID63068559
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESNC1CCN(CC(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H18N2O2/c15-12-3-5-16(8-12)9-13(17)10-1-2-14-11(7-10)4-6-18-14/h1-2,7,12H,3-6,8-9,15H2
InChIKeyWHILLLDDRDIQBL-UHFFFAOYSA-N
XLogP0.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61440412
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-(1,1-diphenylethyl)pyrrolidin-1-yl]ethanone
CID 71058664
2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 56828796
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 116593300
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405314
3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 19108487
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81195757
2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 55029859
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 63068559) is 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is NC1CCN(CC(=O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is WHILLLDDRDIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-12-3-5-16(8-12)9-13(17)10-1-2-14-11(7-10)4-6-18-14/h1-2,7,12H,3-6,8-9,15H2.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 63068559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).