1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione

C8H11NO3 — CID 19880484

IUPAC1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(C(C)O)C1=O
InChIInChI=1S/C8H11NO3/c1-4-5(2)8(12)9(6(3)10)7(4)11/h6,10H,1-3H3
InChIKeyLCTGGEJCZWAJCV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.03
Rot. Bonds1

About 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione

1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 19880484) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID19880484
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(C(C)O)C1=O
InChIInChI=1S/C8H11NO3/c1-4-5(2)8(12)9(6(3)10)7(4)11/h6,10H,1-3H3
InChIKeyLCTGGEJCZWAJCV-UHFFFAOYSA-N
XLogP0.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 23335118
3,4-Dimethyl-1-(2-methylpropyl)pyrrole-2,5-dione
CID 76319691
1-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one
CID 138965474
1-Ethyl-3,4-dimethylpyrrole-2,5-dione
CID 12478480
3,4-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649132
1-(3,3-Difluoro-2-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 105649232
1-(2,2-Difluoro-3-hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 106172546
1-butyl-5-hydroxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 5038937
N-(hydroxymethyl)dimethylmaleimide
CID 11008153
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
3,4-Dimethyl-1-propylpyrrole-2,5-dione
CID 19898442

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione (CID 19880484) is 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(C(C)O)C1=O.
What is the InChIKey of 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is LCTGGEJCZWAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-5(2)8(12)9(6(3)10)7(4)11/h6,10H,1-3H3.
What are the key properties of 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 19880484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).