2,4-dihydropyrrol-3-one

C4H5NO — CID 22271870

IUPAC2,4-dihydropyrrol-3-one
SMILESO=C1CC=NC1
InChIInChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2H,1,3H2
InChIKeyIZYYDIDXISVSPR-UHFFFAOYSA-N
MW83.09 g/mol
LogP0.03
Rot. Bonds

About 2,4-dihydropyrrol-3-one

2,4-dihydropyrrol-3-one (PubChem CID 22271870) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 2,4-dihydropyrrol-3-one.

Molecular Properties

Compound Name2,4-dihydropyrrol-3-one
PubChem CID22271870
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name2,4-dihydropyrrol-3-one
SMILESO=C1CC=NC1
InChIInChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2H,1,3H2
InChIKeyIZYYDIDXISVSPR-UHFFFAOYSA-N
XLogP0.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydropyrrol-3-one?
The IUPAC name of 2,4-dihydropyrrol-3-one (CID 22271870) is 2,4-dihydropyrrol-3-one.
What is the SMILES notation for 2,4-dihydropyrrol-3-one?
The canonical SMILES for 2,4-dihydropyrrol-3-one is O=C1CC=NC1.
What is the InChIKey of 2,4-dihydropyrrol-3-one?
The InChIKey is IZYYDIDXISVSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2H,1,3H2.
What are the key properties of 2,4-dihydropyrrol-3-one?
2,4-dihydropyrrol-3-one has a molecular weight of 83.09 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydropyrrol-3-one is sourced from PubChem (CID 22271870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).