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

C8H11NO3 — CID 15919476

IUPAC1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCO)C1=O
InChIInChI=1S/C8H11NO3/c1-5-6(2)8(12)9(3-4-10)7(5)11/h10H,3-4H2,1-2H3
InChIKeyNAQMRYXOGZYLMQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.32
Rot. Bonds2

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

1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione (PubChem CID 15919476) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
PubChem CID15919476
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCO)C1=O
InChIInChI=1S/C8H11NO3/c1-5-6(2)8(12)9(3-4-10)7(5)11/h10H,3-4H2,1-2H3
InChIKeyNAQMRYXOGZYLMQ-UHFFFAOYSA-N
XLogP-0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.32
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-[(2R)-1-hydroxybutan-2-yl]-3-methylpyrrole-2,5-dione
CID 57328063
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
1-Ethyl-3,4-dimethylpyrrole-2,5-dione
CID 12478480
1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219087
1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219091
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
N-(hydroxymethyl)dimethylmaleimide
CID 11008153
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
N-Ethyl-N-(2-hydroxyethyl)-2-methyl-2-propenamide
CID 19357458
1-(1-Hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione
CID 19880484

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione (CID 15919476) is 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is NAQMRYXOGZYLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-6(2)8(12)9(3-4-10)7(5)11/h10H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione?
1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 15919476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).