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

C14H15NO2 — CID 60975787

IUPAC3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1ccccc1N1C(=O)C=C(C)C1=O
InChIInChI=1S/C14H15NO2/c1-3-6-11-7-4-5-8-12(11)15-13(16)9-10(2)14(15)17/h4-5,7-9H,3,6H2,1-2H3
InChIKeyBGOTYPGKVWIJGZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.46
Rot. Bonds3

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

3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione (PubChem CID 60975787) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
PubChem CID60975787
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
SMILESCCCc1ccccc1N1C(=O)C=C(C)C1=O
InChIInChI=1S/C14H15NO2/c1-3-6-11-7-4-5-8-12(11)15-13(16)9-10(2)14(15)17/h4-5,7-9H,3,6H2,1-2H3
InChIKeyBGOTYPGKVWIJGZ-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.46
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-[4-(2,5-dioxopyrrol-1-yl)naphthalen-1-yl]-3-methylpyrrole-2,5-dione
CID 69214872
2-(2-hexylphenyl)isoindole-1,3-dione
CID 10638446
3-hexyl-1-[2-(3-hexyl-2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 57273700
3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
CID 158792660
5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
CID 86154964
1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
CID 61349411
5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
CID 115947516
1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
1-(2-bromo-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 82756585
1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;1-(2-methylphenyl)pyrrole-2,5-dione
CID 174784361
(1S,4S,8R,11S)-6,13-bis(2-ethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,9-diene-5,7,12,14-tetrone
CID 28740554
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione (CID 60975787) is 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione is CCCc1ccccc1N1C(=O)C=C(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione?
The InChIKey is BGOTYPGKVWIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-6-11-7-4-5-8-12(11)15-13(16)9-10(2)14(15)17/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione?
3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 60975787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).