1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one

C8H10N2O3 — CID 54206817

IUPAC1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(O)[nH]c1O
InChIInChI=1S/C8H10N2O3/c11-6-4-5(8(13)9-6)10-3-1-2-7(10)12/h4,9,11,13H,1-3H2
InChIKeyPMEPBXKRZDLIQI-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.55
Rot. Bonds1

About 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one

1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one (PubChem CID 54206817) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
PubChem CID54206817
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(O)[nH]c1O
InChIInChI=1S/C8H10N2O3/c11-6-4-5(8(13)9-6)10-3-1-2-7(10)12/h4,9,11,13H,1-3H2
InChIKeyPMEPBXKRZDLIQI-UHFFFAOYSA-N
XLogP0.55
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one (CID 54206817) is 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one is O=C1CCCN1c1cc(O)[nH]c1O.
What is the InChIKey of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one?
The InChIKey is PMEPBXKRZDLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-4-5(8(13)9-6)10-3-1-2-7(10)12/h4,9,11,13H,1-3H2.
What are the key properties of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one?
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one has a molecular weight of 182.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 54206817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).