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

C6H10N2O — CID 90070636

IUPAC1-(2-aminoethyl)-2H-pyrrol-5-one
SMILESNCCN1CC=CC1=O
InChIInChI=1S/C6H10N2O/c7-3-5-8-4-1-2-6(8)9/h1-2H,3-5,7H2
InChIKeyLEHVKYAFISJAJX-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.66
Rot. Bonds2

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

1-(2-aminoethyl)-2H-pyrrol-5-one (PubChem CID 90070636) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-2H-pyrrol-5-one
PubChem CID90070636
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(2-aminoethyl)-2H-pyrrol-5-one
SMILESNCCN1CC=CC1=O
InChIInChI=1S/C6H10N2O/c7-3-5-8-4-1-2-6(8)9/h1-2H,3-5,7H2
InChIKeyLEHVKYAFISJAJX-UHFFFAOYSA-N
XLogP-0.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminoethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(2-aminoethyl)-2H-pyrrol-5-one (CID 90070636) is 1-(2-aminoethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-aminoethyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-aminoethyl)-2H-pyrrol-5-one is NCCN1CC=CC1=O.
What is the InChIKey of 1-(2-aminoethyl)-2H-pyrrol-5-one?
The InChIKey is LEHVKYAFISJAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-3-5-8-4-1-2-6(8)9/h1-2H,3-5,7H2.
What are the key properties of 1-(2-aminoethyl)-2H-pyrrol-5-one?
1-(2-aminoethyl)-2H-pyrrol-5-one has a molecular weight of 126.16 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 90070636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).