3,4-diethyl-1-methylpyrrole-2,5-dione

C9H13NO2 — CID 57148362

IUPAC3,4-diethyl-1-methylpyrrole-2,5-dione
SMILESCCC1=C(CC)C(=O)N(C)C1=O
InChIInChI=1S/C9H13NO2/c1-4-6-7(5-2)9(12)10(3)8(6)11/h4-5H2,1-3H3
InChIKeyLWVVQTOIKPJMLD-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds2

About 3,4-diethyl-1-methylpyrrole-2,5-dione

3,4-diethyl-1-methylpyrrole-2,5-dione (PubChem CID 57148362) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3,4-diethyl-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-diethyl-1-methylpyrrole-2,5-dione
PubChem CID57148362
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3,4-diethyl-1-methylpyrrole-2,5-dione
SMILESCCC1=C(CC)C(=O)N(C)C1=O
InChIInChI=1S/C9H13NO2/c1-4-6-7(5-2)9(12)10(3)8(6)11/h4-5H2,1-3H3
InChIKeyLWVVQTOIKPJMLD-UHFFFAOYSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile
CID 15332744
1H-Pyrrole-2,5-dione, 3,4-diethyl-
CID 586770
1-butyl-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 23335118
1-Acetyl-3-ethyl-4-methyl-1H-pyrrol-2(5H)-one
CID 71391391
1-Ethyl-3,4-dimethylpyrrole-2,5-dione
CID 12478480
3-Tert-butyl-1-methylpyrrole-2,5-dione
CID 14736438
1-Methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione
CID 14736439
1,4,5-Trimethyl-2,3-dihydropyridin-6-one
CID 15981614
3-Butyl-1,4-dimethylpyrrole-2,5-dione
CID 101463233
Butanediamide, N,N,N',N'-tetraethyl-2-(1-methylethylidene)-
CID 551898
(E)-N,N-diethyl-2,3-dimethylpent-2-enamide
CID 102303657
1-Methyl-3-(methylethylidene)azolidine-2,5-dione
CID 1257758

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-methylpyrrole-2,5-dione?
The IUPAC name of 3,4-diethyl-1-methylpyrrole-2,5-dione (CID 57148362) is 3,4-diethyl-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-diethyl-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3,4-diethyl-1-methylpyrrole-2,5-dione is CCC1=C(CC)C(=O)N(C)C1=O.
What is the InChIKey of 3,4-diethyl-1-methylpyrrole-2,5-dione?
The InChIKey is LWVVQTOIKPJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-6-7(5-2)9(12)10(3)8(6)11/h4-5H2,1-3H3.
What are the key properties of 3,4-diethyl-1-methylpyrrole-2,5-dione?
3,4-diethyl-1-methylpyrrole-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 57148362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).