4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one

C15H15NO3 — CID 19988985

IUPAC4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1-c1ccco1
InChIInChI=1S/C15H15NO3/c1-18-13-5-4-10(11-8-15(17)16-9-11)7-12(13)14-3-2-6-19-14/h2-7,11H,8-9H2,1H3,(H,16,17)
InChIKeyKHGATEHCXNZCAU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.56
Rot. Bonds3

About 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one

4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one (PubChem CID 19988985) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one
PubChem CID19988985
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1-c1ccco1
InChIInChI=1S/C15H15NO3/c1-18-13-5-4-10(11-8-15(17)16-9-11)7-12(13)14-3-2-6-19-14/h2-7,11H,8-9H2,1H3,(H,16,17)
InChIKeyKHGATEHCXNZCAU-UHFFFAOYSA-N
XLogP2.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one (CID 19988985) is 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1-c1ccco1.
What is the InChIKey of 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one?
The InChIKey is KHGATEHCXNZCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-13-5-4-10(11-8-15(17)16-9-11)7-12(13)14-3-2-6-19-14/h2-7,11H,8-9H2,1H3,(H,16,17).
What are the key properties of 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one?
4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 19988985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).