3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione

C16H19NO2 — CID 143772224

IUPAC3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1cc(C)cc(N2C(=O)C(C)=C(C)C2=O)c1
InChIInChI=1S/C16H19NO2/c1-5-6-13-7-10(2)8-14(9-13)17-15(18)11(3)12(4)16(17)19/h7-9H,5-6H2,1-4H3
InChIKeyJZVATJBJXIONSR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.16
Rot. Bonds3

About 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione

3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione (PubChem CID 143772224) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione
PubChem CID143772224
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1cc(C)cc(N2C(=O)C(C)=C(C)C2=O)c1
InChIInChI=1S/C16H19NO2/c1-5-6-13-7-10(2)8-14(9-13)17-15(18)11(3)12(4)16(17)19/h7-9H,5-6H2,1-4H3
InChIKeyJZVATJBJXIONSR-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione (CID 143772224) is 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione is CCCc1cc(C)cc(N2C(=O)C(C)=C(C)C2=O)c1.
What is the InChIKey of 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione?
The InChIKey is JZVATJBJXIONSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-5-6-13-7-10(2)8-14(9-13)17-15(18)11(3)12(4)16(17)19/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione?
3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione has a molecular weight of 257.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methyl-5-propylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 143772224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).