methanol;3-phenylpyrrole-2,5-dione

C11H11NO3 — CID 21418489

IUPACmethanol;3-phenylpyrrole-2,5-dione
SMILESCO.O=C1C=C(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H7NO2.CH4O/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;1-2/h1-6H,(H,11,12,13);2H,1H3
InChIKeyPVDYDKQAIDJUSQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.33
Rot. Bonds1

About methanol;3-phenylpyrrole-2,5-dione

methanol;3-phenylpyrrole-2,5-dione (PubChem CID 21418489) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methanol;3-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Namemethanol;3-phenylpyrrole-2,5-dione
PubChem CID21418489
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethanol;3-phenylpyrrole-2,5-dione
SMILESCO.O=C1C=C(c2ccccc2)C(=O)N1
InChIInChI=1S/C10H7NO2.CH4O/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;1-2/h1-6H,(H,11,12,13);2H,1H3
InChIKeyPVDYDKQAIDJUSQ-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylphenyl)pyrrole-2,5-dione
CID 21270814
5-methylidene-4-phenylpyrrol-2-one
CID 16663238
3-[4-[4-(2,5-dioxopyrrol-3-yl)-N-methylanilino]phenyl]pyrrole-2,5-dione
CID 163842039
3-[4-(1,1-difluoroethyl)phenyl]pyrrole-2,5-dione
CID 154550091
3-(4-butan-2-ylphenyl)pyrrole-2,5-dione
CID 82115515
3-(2,6-dimethylphenyl)pyrrole-2,5-dione
CID 54201617
3-[3-(2,5-dioxopyrrol-3-yl)-4-methylphenyl]pyrrole-2,5-dione
CID 159607350
3-(2-propan-2-ylphenyl)pyrrole-2,5-dione
CID 106695005
3-[2-[[2-(2,5-dioxopyrrol-3-yl)phenyl]disulfanyl]phenyl]pyrrole-2,5-dione
CID 54120330
3-(4-octadecoxyphenyl)pyrrole-2,5-dione
CID 22026735
3-benzoylpyrrole-2,5-dione
CID 154096189
3-[2-(1-hydroxyprop-2-enyl)phenyl]pyrrole-2,5-dione
CID 174958880

Frequently Asked Questions

What is the IUPAC name of methanol;3-phenylpyrrole-2,5-dione?
The IUPAC name of methanol;3-phenylpyrrole-2,5-dione (CID 21418489) is methanol;3-phenylpyrrole-2,5-dione.
What is the SMILES notation for methanol;3-phenylpyrrole-2,5-dione?
The canonical SMILES for methanol;3-phenylpyrrole-2,5-dione is CO.O=C1C=C(c2ccccc2)C(=O)N1.
What is the InChIKey of methanol;3-phenylpyrrole-2,5-dione?
The InChIKey is PVDYDKQAIDJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.CH4O/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;1-2/h1-6H,(H,11,12,13);2H,1H3.
What are the key properties of methanol;3-phenylpyrrole-2,5-dione?
methanol;3-phenylpyrrole-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-phenylpyrrole-2,5-dione is sourced from PubChem (CID 21418489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).