1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one

C6H10N2O2 — CID 123554892

IUPAC1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one
SMILESNCCN1C(=O)C=CC1O
InChIInChI=1S/C6H10N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2,5,9H,3-4,7H2
InChIKeyGLROSWUJTKIHGH-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.34
Rot. Bonds2

About 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one

1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one (PubChem CID 123554892) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one
PubChem CID123554892
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one
SMILESNCCN1C(=O)C=CC1O
InChIInChI=1S/C6H10N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2,5,9H,3-4,7H2
InChIKeyGLROSWUJTKIHGH-UHFFFAOYSA-N
XLogP-1.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one (CID 123554892) is 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one is NCCN1C(=O)C=CC1O.
What is the InChIKey of 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is GLROSWUJTKIHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2,5,9H,3-4,7H2.
What are the key properties of 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one?
1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 142.16 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 123554892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).