3-methyl-1-pentylpyrrole-2,5-dione

C10H15NO2 — CID 19016843

IUPAC3-methyl-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-11-9(12)7-8(2)10(11)13/h7H,3-6H2,1-2H3
InChIKeyYHOJCCFVFDMCST-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.49
Rot. Bonds4

About 3-methyl-1-pentylpyrrole-2,5-dione

3-methyl-1-pentylpyrrole-2,5-dione (PubChem CID 19016843) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-1-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-pentylpyrrole-2,5-dione
PubChem CID19016843
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-methyl-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-11-9(12)7-8(2)10(11)13/h7H,3-6H2,1-2H3
InChIKeyYHOJCCFVFDMCST-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentylpyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-pentylpyrrole-2,5-dione (CID 19016843) is 3-methyl-1-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-pentylpyrrole-2,5-dione is CCCCCN1C(=O)C=C(C)C1=O.
What is the InChIKey of 3-methyl-1-pentylpyrrole-2,5-dione?
The InChIKey is YHOJCCFVFDMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-6-11-9(12)7-8(2)10(11)13/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-pentylpyrrole-2,5-dione?
3-methyl-1-pentylpyrrole-2,5-dione has a molecular weight of 181.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentylpyrrole-2,5-dione is sourced from PubChem (CID 19016843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).