5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one

C14H16N2O2 — CID 80702882

IUPAC5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2coc3ccccc23)N1
InChIInChI=1S/C14H16N2O2/c17-14-6-5-11(16-14)8-15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17)
InChIKeyHSXVRVYNGXSBAP-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.80
Rot. Bonds4

About 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one

5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one (PubChem CID 80702882) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
PubChem CID80702882
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2coc3ccccc23)N1
InChIInChI=1S/C14H16N2O2/c17-14-6-5-11(16-14)8-15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17)
InChIKeyHSXVRVYNGXSBAP-UHFFFAOYSA-N
XLogP1.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
2-(6-chloro-1-benzofuran-3-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]acetamide
CID 166246750
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
CID 80700757
5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
CID 115697510
5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 103743104
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one (CID 80702882) is 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one is O=C1CCC(CNCc2coc3ccccc23)N1.
What is the InChIKey of 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one?
The InChIKey is HSXVRVYNGXSBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-6-5-11(16-14)8-15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17).
What are the key properties of 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one?
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 80702882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).