1-(5-phenylpentyl)pyrrole-2,5-dione

C15H17NO2 — CID 6539157

IUPAC1-(5-phenylpentyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCc1ccccc1
InChIInChI=1S/C15H17NO2/c17-14-10-11-15(18)16(14)12-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,10-11H,2,5-6,9,12H2
InChIKeyIXTLNSYWWDKHPQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.32
Rot. Bonds6

About 1-(5-phenylpentyl)pyrrole-2,5-dione

1-(5-phenylpentyl)pyrrole-2,5-dione (PubChem CID 6539157) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(5-phenylpentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-phenylpentyl)pyrrole-2,5-dione
PubChem CID6539157
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(5-phenylpentyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCc1ccccc1
InChIInChI=1S/C15H17NO2/c17-14-10-11-15(18)16(14)12-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,10-11H,2,5-6,9,12H2
InChIKeyIXTLNSYWWDKHPQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.32
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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Related Compounds

Benzylmaleimide
CID 74204
Maleimide, N-phenethyl-
CID 243296
(E)-3-Phenyl-1-(pyrrolidino)-2-propen-1-one
CID 765514
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylenebis(methylene))bis(3-methyl-
CID 11587850
Piperidine, N-acetyl-4-benzyl-
CID 299608
N-Acetylmethamphetamine
CID 526655
3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
CID 6116364
N-(3-Phenylpropyl)maleimide
CID 576189
N,N-Diethylcinnamamide
CID 817779
Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one
CID 763255

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-phenylpentyl)pyrrole-2,5-dione (CID 6539157) is 1-(5-phenylpentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-phenylpentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-phenylpentyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCc1ccccc1.
What is the InChIKey of 1-(5-phenylpentyl)pyrrole-2,5-dione?
The InChIKey is IXTLNSYWWDKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-10-11-15(18)16(14)12-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,10-11H,2,5-6,9,12H2.
What are the key properties of 1-(5-phenylpentyl)pyrrole-2,5-dione?
1-(5-phenylpentyl)pyrrole-2,5-dione has a molecular weight of 243.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpentyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).