1,2-dihydropyrrol-5-one

C4H5NO — CID 637997

IUPAC1,2-dihydropyrrol-5-one
SMILESO=C1C=CCN1
InChIInChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)
InChIKeyCDCHBOQVXIGZHA-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.33
Rot. Bonds

About 1,2-dihydropyrrol-5-one

1,2-dihydropyrrol-5-one (PubChem CID 637997) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is 1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name1,2-dihydropyrrol-5-one
PubChem CID637997
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC Name1,2-dihydropyrrol-5-one
SMILESO=C1C=CCN1
InChIInChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)
InChIKeyCDCHBOQVXIGZHA-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrrol-5-one?
The IUPAC name of 1,2-dihydropyrrol-5-one (CID 637997) is 1,2-dihydropyrrol-5-one.
What is the SMILES notation for 1,2-dihydropyrrol-5-one?
The canonical SMILES for 1,2-dihydropyrrol-5-one is O=C1C=CCN1.
What is the InChIKey of 1,2-dihydropyrrol-5-one?
The InChIKey is CDCHBOQVXIGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6).
What are the key properties of 1,2-dihydropyrrol-5-one?
1,2-dihydropyrrol-5-one has a molecular weight of 83.09 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrrol-5-one is sourced from PubChem (CID 637997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).