1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one

C13H20N2O2 — CID 54973475

IUPAC1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(CCc2ccco2)C1=O
InChIInChI=1S/C13H20N2O2/c1-2-7-14-12-6-9-15(13(12)16)8-5-11-4-3-10-17-11/h3-4,10,12,14H,2,5-9H2,1H3
InChIKeyKIEGEFIPMZNGKC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one

1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one (PubChem CID 54973475) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
PubChem CID54973475
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(CCc2ccco2)C1=O
InChIInChI=1S/C13H20N2O2/c1-2-7-14-12-6-9-15(13(12)16)8-5-11-4-3-10-17-11/h3-4,10,12,14H,2,5-9H2,1H3
InChIKeyKIEGEFIPMZNGKC-UHFFFAOYSA-N
XLogP1.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one (CID 54973475) is 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(CCc2ccco2)C1=O.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
The InChIKey is KIEGEFIPMZNGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-7-14-12-6-9-15(13(12)16)8-5-11-4-3-10-17-11/h3-4,10,12,14H,2,5-9H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one?
1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).