pyrrol-2-one

C8H6N2O2 — CID 66809756

IUPACpyrrol-2-one
SMILESO=C1C=CC=N1.O=C1C=CC=N1
InChIInChI=1S/2C4H3NO/c2*6-4-2-1-3-5-4/h2*1-3H
InChIKeyXDMXFXDFYVWVBM-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.31
Rot. Bonds

About pyrrol-2-one

pyrrol-2-one (PubChem CID 66809756) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is pyrrol-2-one.

Molecular Properties

Compound Namepyrrol-2-one
PubChem CID66809756
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Namepyrrol-2-one
SMILESO=C1C=CC=N1.O=C1C=CC=N1
InChIInChI=1S/2C4H3NO/c2*6-4-2-1-3-5-4/h2*1-3H
InChIKeyXDMXFXDFYVWVBM-UHFFFAOYSA-N
XLogP0.31
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrol-2-one?
The IUPAC name of pyrrol-2-one (CID 66809756) is pyrrol-2-one.
What is the SMILES notation for pyrrol-2-one?
The canonical SMILES for pyrrol-2-one is O=C1C=CC=N1.O=C1C=CC=N1.
What is the InChIKey of pyrrol-2-one?
The InChIKey is XDMXFXDFYVWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO/c2*6-4-2-1-3-5-4/h2*1-3H.
What are the key properties of pyrrol-2-one?
pyrrol-2-one has a molecular weight of 162.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-2-one is sourced from PubChem (CID 66809756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).