3-methylimino-1H-pyrrol-2-one

C5H6N2O — CID 141197218

IUPAC3-methylimino-1H-pyrrol-2-one
SMILESC/N=C1\C=CNC1=O
InChIInChI=1S/C5H6N2O/c1-6-4-2-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChIKeyHZOQPLVPPILAKI-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.30
Rot. Bonds

About 3-methylimino-1H-pyrrol-2-one

3-methylimino-1H-pyrrol-2-one (PubChem CID 141197218) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 3-methylimino-1H-pyrrol-2-one.

Molecular Properties

Compound Name3-methylimino-1H-pyrrol-2-one
PubChem CID141197218
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name3-methylimino-1H-pyrrol-2-one
SMILESC/N=C1\C=CNC1=O
InChIInChI=1S/C5H6N2O/c1-6-4-2-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChIKeyHZOQPLVPPILAKI-UHFFFAOYSA-N
XLogP-0.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-3-methylpyrazine
CID 88276
5-Oxo-4h-pyrrolo[3,2-b]pyridine
CID 137253734
3-ethenyl-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 167192855
N-methylazete-2-carboxamide
CID 23164916
2-ethenylimino-N-(trideuteriomethyl)propanamide
CID 89424951
2,5-Dihydroimidazo[4,5-c]pyridin-4-one
CID 136472302
N-ethenylazete-2-carboxamide
CID 139628977
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
ethane;3-ethenyl-1H-pyrazin-2-one
CID 144475825
4-Amino-2-ethyliminobut-3-enamide
CID 147426933
N-[(Z)-3-iminobut-1-enyl]acetamide
CID 154006455
N-ethylazete-2-carboxamide
CID 154494778

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-1H-pyrrol-2-one?
The IUPAC name of 3-methylimino-1H-pyrrol-2-one (CID 141197218) is 3-methylimino-1H-pyrrol-2-one.
What is the SMILES notation for 3-methylimino-1H-pyrrol-2-one?
The canonical SMILES for 3-methylimino-1H-pyrrol-2-one is C/N=C1\C=CNC1=O.
What is the InChIKey of 3-methylimino-1H-pyrrol-2-one?
The InChIKey is HZOQPLVPPILAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-6-4-2-3-7-5(4)8/h2-3H,1H3,(H,6,7,8).
What are the key properties of 3-methylimino-1H-pyrrol-2-one?
3-methylimino-1H-pyrrol-2-one has a molecular weight of 110.12 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-1H-pyrrol-2-one is sourced from PubChem (CID 141197218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).