methane;1-phenylpyrrole-2,5-dione

C11H11NO2 — CID 174935875

IUPACmethane;1-phenylpyrrole-2,5-dione
SMILESC.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.CH4/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;/h1-7H;1H4
InChIKeyYGJTWBLTKSKVCZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.75
Rot. Bonds1

About methane;1-phenylpyrrole-2,5-dione

methane;1-phenylpyrrole-2,5-dione (PubChem CID 174935875) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methane;1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Namemethane;1-phenylpyrrole-2,5-dione
PubChem CID174935875
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethane;1-phenylpyrrole-2,5-dione
SMILESC.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.CH4/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;/h1-7H;1H4
InChIKeyYGJTWBLTKSKVCZ-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-phenylpyrrole-2,5-dione?
The IUPAC name of methane;1-phenylpyrrole-2,5-dione (CID 174935875) is methane;1-phenylpyrrole-2,5-dione.
What is the SMILES notation for methane;1-phenylpyrrole-2,5-dione?
The canonical SMILES for methane;1-phenylpyrrole-2,5-dione is C.O=C1C=CC(=O)N1c1ccccc1.
What is the InChIKey of methane;1-phenylpyrrole-2,5-dione?
The InChIKey is YGJTWBLTKSKVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.CH4/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;/h1-7H;1H4.
What are the key properties of methane;1-phenylpyrrole-2,5-dione?
methane;1-phenylpyrrole-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 174935875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).