1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one

C16H20N2O2 — CID 80700350

IUPAC1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1coc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(10-18-8-4-7-16(18)19)17-9-13-11-20-15-6-3-2-5-14(13)15/h2-3,5-6,11-12,17H,4,7-10H2,1H3
InChIKeyZDGZRQZUNFQFES-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one

1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 80700350) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID80700350
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1coc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(10-18-8-4-7-16(18)19)17-9-13-11-20-15-6-3-2-5-14(13)15/h2-3,5-6,11-12,17H,4,7-10H2,1H3
InChIKeyZDGZRQZUNFQFES-UHFFFAOYSA-N
XLogP2.53
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 93423385
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
[2-(1-benzofuran-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)propanoylamino]ethyl]boronic acid
CID 145054027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one (CID 80700350) is 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1coc2ccccc12.
What is the InChIKey of 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is ZDGZRQZUNFQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(10-18-8-4-7-16(18)19)17-9-13-11-20-15-6-3-2-5-14(13)15/h2-3,5-6,11-12,17H,4,7-10H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one?
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 80700350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).