3,4-dihydroxy-1,2-dihydropyrrol-5-one

C4H5NO3 — CID 56604131

IUPAC3,4-dihydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1O
InChIInChI=1S/C4H5NO3/c6-2-1-5-4(8)3(2)7/h6-7H,1H2,(H,5,8)
InChIKeyRNZLKBCJHUDMOM-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.56
Rot. Bonds

About 3,4-dihydroxy-1,2-dihydropyrrol-5-one

3,4-dihydroxy-1,2-dihydropyrrol-5-one (PubChem CID 56604131) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 3,4-dihydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-1,2-dihydropyrrol-5-one
PubChem CID56604131
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name3,4-dihydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1O
InChIInChI=1S/C4H5NO3/c6-2-1-5-4(8)3(2)7/h6-7H,1H2,(H,5,8)
InChIKeyRNZLKBCJHUDMOM-UHFFFAOYSA-N
XLogP-0.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3,4-dihydroxy-1,2-dihydropyrrol-5-one (CID 56604131) is 3,4-dihydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3,4-dihydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3,4-dihydroxy-1,2-dihydropyrrol-5-one is O=C1NCC(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is RNZLKBCJHUDMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-2-1-5-4(8)3(2)7/h6-7H,1H2,(H,5,8).
What are the key properties of 3,4-dihydroxy-1,2-dihydropyrrol-5-one?
3,4-dihydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 115.09 g/mol, XLogP of -0.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 56604131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).