azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate

C5H10N2O2 — CID 3060821

IUPACazanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate
SMILESCC1=C([O-])CNC1=O.[NH4+]
InChIInChI=1S/C5H7NO2.H3N/c1-3-4(7)2-6-5(3)8;/h7H,2H2,1H3,(H,6,8);1H3
InChIKeyKKKUWMYNFCDGFL-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.87
Rot. Bonds

About azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate

azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate (PubChem CID 3060821) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate.

Molecular Properties

Compound Nameazanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate
PubChem CID3060821
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Nameazanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate
SMILESCC1=C([O-])CNC1=O.[NH4+]
InChIInChI=1S/C5H7NO2.H3N/c1-3-4(7)2-6-5(3)8;/h7H,2H2,1H3,(H,6,8);1H3
InChIKeyKKKUWMYNFCDGFL-UHFFFAOYSA-N
XLogP-0.87
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate?
The IUPAC name of azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate (CID 3060821) is azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate.
What is the SMILES notation for azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate?
The canonical SMILES for azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate is CC1=C([O-])CNC1=O.[NH4+].
What is the InChIKey of azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate?
The InChIKey is KKKUWMYNFCDGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.H3N/c1-3-4(7)2-6-5(3)8;/h7H,2H2,1H3,(H,6,8);1H3.
What are the key properties of azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate?
azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate has a molecular weight of 130.15 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 4-methyl-5-oxo-1,2-dihydropyrrol-3-olate is sourced from PubChem (CID 3060821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).