4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one

C13H13NO3 — CID 13400182

IUPAC4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one
SMILESCOc1cccc2cc(C3CNC(=O)C3)oc12
InChIInChI=1S/C13H13NO3/c1-16-10-4-2-3-8-5-11(17-13(8)10)9-6-12(15)14-7-9/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyFLWNZTWIIXHKPQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.04
Rot. Bonds2

About 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one

4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one (PubChem CID 13400182) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one
PubChem CID13400182
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one
SMILESCOc1cccc2cc(C3CNC(=O)C3)oc12
InChIInChI=1S/C13H13NO3/c1-16-10-4-2-3-8-5-11(17-13(8)10)9-6-12(15)14-7-9/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyFLWNZTWIIXHKPQ-UHFFFAOYSA-N
XLogP2.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
4-(2,3-dimethoxyphenyl)pyrrolidin-2-one
CID 66106301
3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622924
2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665855
7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622922
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 146129250
4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one
CID 10681691
4-(8-methoxy-[1]benzofuro[2,3-c]pyridin-5-yl)pyrrolidin-2-one
CID 67451255
2-iodo-7-methoxy-1-benzofuran
CID 147263066
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
CID 82127994
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one
CID 43782021

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one (CID 13400182) is 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one is COc1cccc2cc(C3CNC(=O)C3)oc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one?
The InChIKey is FLWNZTWIIXHKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-10-4-2-3-8-5-11(17-13(8)10)9-6-12(15)14-7-9/h2-5,9H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one?
4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 13400182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).