1,3-dihydropyrrol-2-one

C4H5NO — CID 642156

IUPAC1,3-dihydropyrrol-2-one
SMILESO=C1CC=CN1
InChIInChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)
InChIKeyVIESAWGOYVNHLV-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.02
Rot. Bonds

About 1,3-dihydropyrrol-2-one

1,3-dihydropyrrol-2-one (PubChem CID 642156) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name1,3-dihydropyrrol-2-one
PubChem CID642156
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name1,3-dihydropyrrol-2-one
SMILESO=C1CC=CN1
InChIInChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)
InChIKeyVIESAWGOYVNHLV-UHFFFAOYSA-N
XLogP0.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrol-2-one?
The IUPAC name of 1,3-dihydropyrrol-2-one (CID 642156) is 1,3-dihydropyrrol-2-one.
What is the SMILES notation for 1,3-dihydropyrrol-2-one?
The canonical SMILES for 1,3-dihydropyrrol-2-one is O=C1CC=CN1.
What is the InChIKey of 1,3-dihydropyrrol-2-one?
The InChIKey is VIESAWGOYVNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6).
What are the key properties of 1,3-dihydropyrrol-2-one?
1,3-dihydropyrrol-2-one has a molecular weight of 83.09 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrol-2-one is sourced from PubChem (CID 642156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).