3-methyl-4-pentylpyrrole-2,5-dione

C10H15NO2 — CID 67068208

IUPAC3-methyl-4-pentylpyrrole-2,5-dione
SMILESCCCCCC1=C(C)C(=O)NC1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-8-7(2)9(12)11-10(8)13/h3-6H2,1-2H3,(H,11,12,13)
InChIKeyYDVUTVLJELNAJA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-4-pentylpyrrole-2,5-dione

3-methyl-4-pentylpyrrole-2,5-dione (PubChem CID 67068208) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methyl-4-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-pentylpyrrole-2,5-dione
PubChem CID67068208
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-methyl-4-pentylpyrrole-2,5-dione
SMILESCCCCCC1=C(C)C(=O)NC1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-8-7(2)9(12)11-10(8)13/h3-6H2,1-2H3,(H,11,12,13)
InChIKeyYDVUTVLJELNAJA-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydrophthalimide
CID 34024
1H,2H,3H,4H,5H,6H-cyclopenta(c)pyrrole-1,3-dione
CID 325088
Methyl isobutyl maleimide
CID 85864656
3-Octadecylpyrrole-2,5-dione
CID 19810759
Butylmaleimide
CID 21880474
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
3-methyl-4-propyl-1H-pyrrole-2,5-dione
CID 44718966
Hydroxy pentyl maleimide
CID 67068207
Ethylpropylmaleinimide
CID 85864657
3-Propyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole-2,5-dione
CID 91269307
3-Ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione
CID 139973193

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentylpyrrole-2,5-dione?
The IUPAC name of 3-methyl-4-pentylpyrrole-2,5-dione (CID 67068208) is 3-methyl-4-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-4-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-methyl-4-pentylpyrrole-2,5-dione is CCCCCC1=C(C)C(=O)NC1=O.
What is the InChIKey of 3-methyl-4-pentylpyrrole-2,5-dione?
The InChIKey is YDVUTVLJELNAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-6-8-7(2)9(12)11-10(8)13/h3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-4-pentylpyrrole-2,5-dione?
3-methyl-4-pentylpyrrole-2,5-dione has a molecular weight of 181.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentylpyrrole-2,5-dione is sourced from PubChem (CID 67068208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).