4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one

C5H8N2O2 — CID 54718474

IUPAC4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(O)=C(N)C1=O
InChIInChI=1S/C5H8N2O2/c1-7-2-3(8)4(6)5(7)9/h8H,2,6H2,1H3
InChIKeyPZCRXFYUIVDNHI-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.81
Rot. Bonds

About 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one

4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 54718474) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID54718474
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(O)=C(N)C1=O
InChIInChI=1S/C5H8N2O2/c1-7-2-3(8)4(6)5(7)9/h8H,2,6H2,1H3
InChIKeyPZCRXFYUIVDNHI-UHFFFAOYSA-N
XLogP-0.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one (CID 54718474) is 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(O)=C(N)C1=O.
What is the InChIKey of 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is PZCRXFYUIVDNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-2-3(8)4(6)5(7)9/h8H,2,6H2,1H3.
What are the key properties of 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one?
4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 128.13 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 54718474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).