1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one

C20H19NO3 — CID 175644988

IUPAC1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc2ccccc2c1-c1ccoc1
InChIInChI=1S/C20H19NO3/c22-19-6-3-10-21(19)11-13-24-18-8-7-15-4-1-2-5-17(15)20(18)16-9-12-23-14-16/h1-2,4-5,7-9,12,14H,3,6,10-11,13H2
InChIKeyWPIXMQUIPWOQKR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.10
Rot. Bonds5

About 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one

1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 175644988) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID175644988
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc2ccccc2c1-c1ccoc1
InChIInChI=1S/C20H19NO3/c22-19-6-3-10-21(19)11-13-24-18-8-7-15-4-1-2-5-17(15)20(18)16-9-12-23-14-16/h1-2,4-5,7-9,12,14H,3,6,10-11,13H2
InChIKeyWPIXMQUIPWOQKR-UHFFFAOYSA-N
XLogP4.10
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one (CID 175644988) is 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc2ccccc2c1-c1ccoc1.
What is the InChIKey of 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is WPIXMQUIPWOQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19-6-3-10-21(19)11-13-24-18-8-7-15-4-1-2-5-17(15)20(18)16-9-12-23-14-16/h1-2,4-5,7-9,12,14H,3,6,10-11,13H2.
What are the key properties of 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(furan-3-yl)naphthalen-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 175644988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).