1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol

C19H17NO3 — CID 86738922

IUPAC1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.C9H10O/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-5-8-6-3-4-7-9(8)10/h1-7H;2-4,6-7,10H,1,5H2
InChIKeyQJYNDNSDQGQVFK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.24
Rot. Bonds3

About 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol

1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol (PubChem CID 86738922) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol.

Molecular Properties

Compound Name1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol
PubChem CID86738922
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.C9H10O/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-5-8-6-3-4-7-9(8)10/h1-7H;2-4,6-7,10H,1,5H2
InChIKeyQJYNDNSDQGQVFK-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione
CID 70255225
boric acid;2-prop-2-enylphenol
CID 70457137
methane;1-phenylpyrrole-2,5-dione
CID 174935875
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
sodium;benzenesulfonate;2-prop-2-enylphenol
CID 174320644
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
sodium;ethoxyethane;hydride;2-prop-2-enylphenol
CID 173000215
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-prop-2-enylbenzoic acid
CID 2752991
prop-2-enyl 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 46949350

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol?
The IUPAC name of 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol (CID 86738922) is 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol.
What is the SMILES notation for 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol?
The canonical SMILES for 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol is C=CCc1ccccc1O.O=C1C=CC(=O)N1c1ccccc1.
What is the InChIKey of 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol?
The InChIKey is QJYNDNSDQGQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C9H10O/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-5-8-6-3-4-7-9(8)10/h1-7H;2-4,6-7,10H,1,5H2.
What are the key properties of 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol?
1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol has a molecular weight of 307.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol is sourced from PubChem (CID 86738922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).