methane;pyrrolidine-2,5-dione

C5H9NO2 — CID 69124435

IUPACmethane;pyrrolidine-2,5-dione
SMILESC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.CH4/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H4
InChIKeyHWLAREKFQXBJHQ-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.06
Rot. Bonds

About methane;pyrrolidine-2,5-dione

methane;pyrrolidine-2,5-dione (PubChem CID 69124435) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methane;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namemethane;pyrrolidine-2,5-dione
PubChem CID69124435
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethane;pyrrolidine-2,5-dione
SMILESC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.CH4/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H4
InChIKeyHWLAREKFQXBJHQ-UHFFFAOYSA-N
XLogP0.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
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;pyrrolidine-2,5-dione?
The IUPAC name of methane;pyrrolidine-2,5-dione (CID 69124435) is methane;pyrrolidine-2,5-dione.
What is the SMILES notation for methane;pyrrolidine-2,5-dione?
The canonical SMILES for methane;pyrrolidine-2,5-dione is C.O=C1CCC(=O)N1.
What is the InChIKey of methane;pyrrolidine-2,5-dione?
The InChIKey is HWLAREKFQXBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.CH4/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);1H4.
What are the key properties of methane;pyrrolidine-2,5-dione?
methane;pyrrolidine-2,5-dione has a molecular weight of 115.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pyrrolidine-2,5-dione is sourced from PubChem (CID 69124435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).