1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one

C19H17NO3 — CID 166365393

IUPAC1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2cccc3ccoc23)cc1
InChIInChI=1S/C19H17NO3/c21-12-13-10-18(22)20(11-13)16-6-4-14(5-7-16)17-3-1-2-15-8-9-23-19(15)17/h1-9,13,21H,10-12H2
InChIKeyVKDHCJYSDNUTQA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 166365393) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID166365393
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2cccc3ccoc23)cc1
InChIInChI=1S/C19H17NO3/c21-12-13-10-18(22)20(11-13)16-6-4-14(5-7-16)17-3-1-2-15-8-9-23-19(15)17/h1-9,13,21H,10-12H2
InChIKeyVKDHCJYSDNUTQA-UHFFFAOYSA-N
XLogP3.44
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one
CID 166365441
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168662883
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-[4-[2-(hydroxymethyl)-4-methoxyphenyl]phenyl]pyrrolidin-2-one
CID 136553196
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 166365393) is 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(-c2cccc3ccoc23)cc1.
What is the InChIKey of 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is VKDHCJYSDNUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-12-13-10-18(22)20(11-13)16-6-4-14(5-7-16)17-3-1-2-15-8-9-23-19(15)17/h1-9,13,21H,10-12H2.
What are the key properties of 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 166365393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).