2-(2-aminoethyl)-3-benzyl-2H-furan-5-one

C13H15NO2 — CID 149252904

IUPAC2-(2-aminoethyl)-3-benzyl-2H-furan-5-one
SMILESNCCC1OC(=O)C=C1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c14-7-6-12-11(9-13(15)16-12)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8,14H2
InChIKeyPNJNEUAJOLGFDY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds4

About 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one

2-(2-aminoethyl)-3-benzyl-2H-furan-5-one (PubChem CID 149252904) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-benzyl-2H-furan-5-one
PubChem CID149252904
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-aminoethyl)-3-benzyl-2H-furan-5-one
SMILESNCCC1OC(=O)C=C1Cc1ccccc1
InChIInChI=1S/C13H15NO2/c14-7-6-12-11(9-13(15)16-12)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8,14H2
InChIKeyPNJNEUAJOLGFDY-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one?
The IUPAC name of 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one (CID 149252904) is 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one.
What is the SMILES notation for 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one?
The canonical SMILES for 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one is NCCC1OC(=O)C=C1Cc1ccccc1.
What is the InChIKey of 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one?
The InChIKey is PNJNEUAJOLGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-7-6-12-11(9-13(15)16-12)8-10-4-2-1-3-5-10/h1-5,9,12H,6-8,14H2.
What are the key properties of 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one?
2-(2-aminoethyl)-3-benzyl-2H-furan-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-benzyl-2H-furan-5-one is sourced from PubChem (CID 149252904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).