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'}

Analyze methane;1-phenylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione
CID 145056952
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984
ethane;methane;bis(1-phenylpyrrole-2,5-dione);1-propyl-4-(4-propylphenyl)benzene
CID 167689540
3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione
CID 174814777
1-(naphthalen-1-yldiselanyl)naphthalene;1-phenylpyrrole-2,5-dione
CID 174949176
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
CID 155460089
1-phenylpyrrole-2,5-dione;2-prop-2-enylphenol
CID 86738922
1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione
CID 159385426
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione;1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 70372825
1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 90336155

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).