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

C9H12N2O3 — CID 150902891

IUPAC5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one
SMILESCc1cc(O)n(C2CCC(=O)N2)c1O
InChIInChI=1S/C9H12N2O3/c1-5-4-8(13)11(9(5)14)6-2-3-7(12)10-6/h4,6,13-14H,2-3H2,1H3,(H,10,12)
InChIKeyLAJKUMMPHMCQCG-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.62
Rot. Bonds1

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

5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one (PubChem CID 150902891) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one
PubChem CID150902891
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one
SMILESCc1cc(O)n(C2CCC(=O)N2)c1O
InChIInChI=1S/C9H12N2O3/c1-5-4-8(13)11(9(5)14)6-2-3-7(12)10-6/h4,6,13-14H,2-3H2,1H3,(H,10,12)
InChIKeyLAJKUMMPHMCQCG-UHFFFAOYSA-N
XLogP0.62
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
CID 54146652
N-[(2,5-dihydroxypyrrol-1-yl)methyl]-2-iodoacetamide
CID 57219028
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
CID 90740310
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
CID 90861012
4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide
CID 91091349
7-(2,5-Dihydroxypyrrol-1-yl)azepan-2-one
CID 91109205
6-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylhexanamide
CID 91261605
3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)propanamide
CID 91477665
4-(2,5-dihydroxypyrrol-1-yl)-N-[2,2-dimethylpropyl(methylcarbamoyl)carbamoyl]-N-(3-methylbutyl)butanamide
CID 91616517
2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide
CID 123208761

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one?
The IUPAC name of 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one (CID 150902891) is 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one is Cc1cc(O)n(C2CCC(=O)N2)c1O.
What is the InChIKey of 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one?
The InChIKey is LAJKUMMPHMCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-4-8(13)11(9(5)14)6-2-3-7(12)10-6/h4,6,13-14H,2-3H2,1H3,(H,10,12).
What are the key properties of 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one?
5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxy-3-methylpyrrol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 150902891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).