5-pyrrol-1-ylpyrrol-2-one

C8H6N2O — CID 57294030

IUPAC5-pyrrol-1-ylpyrrol-2-one
SMILESO=C1C=CC(n2cccc2)=N1
InChIInChI=1S/C8H6N2O/c11-8-4-3-7(9-8)10-5-1-2-6-10/h1-6H
InChIKeyHNKUPGJRSWMTHH-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.83
Rot. Bonds

About 5-pyrrol-1-ylpyrrol-2-one

5-pyrrol-1-ylpyrrol-2-one (PubChem CID 57294030) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-pyrrol-1-ylpyrrol-2-one.

Molecular Properties

Compound Name5-pyrrol-1-ylpyrrol-2-one
PubChem CID57294030
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name5-pyrrol-1-ylpyrrol-2-one
SMILESO=C1C=CC(n2cccc2)=N1
InChIInChI=1S/C8H6N2O/c11-8-4-3-7(9-8)10-5-1-2-6-10/h1-6H
InChIKeyHNKUPGJRSWMTHH-UHFFFAOYSA-N
XLogP0.83
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetylpyrrole
CID 521947
N-pyrrolylketene
CID 101779369
(E)-1-(1H-Pyrrol-1-yl)but-2-en-1-one
CID 11240506
(E)-1-pyrrol-1-ylhex-2-en-1-one
CID 11298142
1-Pyrrol-1-ylprop-2-en-1-one
CID 25108117
N-methacryloyl pyrrole
CID 45087651
(E)-4,4-dimethyl-1-pyrrol-1-ylpent-2-en-1-one
CID 57549770
3-Oxopyrrolo[1,2-a]imidazole
CID 166450450
4,4,4-Trifluoro-1-pyrrol-1-ylbut-2-en-1-one
CID 141358668
2-Fluoro-1-pyrrol-1-ylprop-2-en-1-one
CID 176910532
(E)-1-pyrrol-1-ylpent-2-en-1-one
CID 101551388
2-Diazo-1-pyrrol-1-ylethanone
CID 101779371

Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-ylpyrrol-2-one?
The IUPAC name of 5-pyrrol-1-ylpyrrol-2-one (CID 57294030) is 5-pyrrol-1-ylpyrrol-2-one.
What is the SMILES notation for 5-pyrrol-1-ylpyrrol-2-one?
The canonical SMILES for 5-pyrrol-1-ylpyrrol-2-one is O=C1C=CC(n2cccc2)=N1.
What is the InChIKey of 5-pyrrol-1-ylpyrrol-2-one?
The InChIKey is HNKUPGJRSWMTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-4-3-7(9-8)10-5-1-2-6-10/h1-6H.
What are the key properties of 5-pyrrol-1-ylpyrrol-2-one?
5-pyrrol-1-ylpyrrol-2-one has a molecular weight of 146.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-ylpyrrol-2-one is sourced from PubChem (CID 57294030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).