1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione

C15H13NO2 — CID 2738021

IUPAC1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione
SMILESC#Cc1cccc(N2C(=O)CC(CC=C)C2=O)c1
InChIInChI=1S/C15H13NO2/c1-3-6-12-10-14(17)16(15(12)18)13-8-5-7-11(4-2)9-13/h2-3,5,7-9,12H,1,6,10H2
InChIKeyNPLZNMXSHOHMEE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione

1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione (PubChem CID 2738021) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione
PubChem CID2738021
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione
SMILESC#Cc1cccc(N2C(=O)CC(CC=C)C2=O)c1
InChIInChI=1S/C15H13NO2/c1-3-6-12-10-14(17)16(15(12)18)13-8-5-7-11(4-2)9-13/h2-3,5,7-9,12H,1,6,10H2
InChIKeyNPLZNMXSHOHMEE-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Succinanil
CID 66519
N-(4-Methylphenyl)succinimide
CID 75335
1-(3-Methylphenyl)-1h-pyrrole-2,5-dione
CID 247652
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
Succinimide, 2-benzyl-N-phenyl-
CID 622117
2-Methylene-N-(m-tolyl)-succinimide
CID 99442
N-(O-Tolyl)succinimide
CID 4575629
1-(3,5-Dimethylphenyl)pyrrolidine-2,5-dione
CID 82076713
2-(2-ethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2925482
2-(3,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2931043

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione (CID 2738021) is 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione is C#Cc1cccc(N2C(=O)CC(CC=C)C2=O)c1.
What is the InChIKey of 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione?
The InChIKey is NPLZNMXSHOHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-3-6-12-10-14(17)16(15(12)18)13-8-5-7-11(4-2)9-13/h2-3,5,7-9,12H,1,6,10H2.
What are the key properties of 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione?
1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione has a molecular weight of 239.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethynylphenyl)-3-prop-2-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 2738021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).