cyclohexane;bis(1-methylpyrrole-2,5-dione)

C16H22N2O4 — CID 22365229

IUPACcyclohexane;bis(1-methylpyrrole-2,5-dione)
SMILESC1CCCCC1.CN1C(=O)C=CC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H12.2C5H5NO2/c1-2-4-6-5-3-1;2*1-6-4(7)2-3-5(6)8/h1-6H2;2*2-3H,1H3
InChIKeyQWSATQHVHSPFJP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.42
Rot. Bonds

About cyclohexane;bis(1-methylpyrrole-2,5-dione)

cyclohexane;bis(1-methylpyrrole-2,5-dione) (PubChem CID 22365229) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is cyclohexane;bis(1-methylpyrrole-2,5-dione).

Molecular Properties

Compound Namecyclohexane;bis(1-methylpyrrole-2,5-dione)
PubChem CID22365229
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namecyclohexane;bis(1-methylpyrrole-2,5-dione)
SMILESC1CCCCC1.CN1C(=O)C=CC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H12.2C5H5NO2/c1-2-4-6-5-3-1;2*1-6-4(7)2-3-5(6)8/h1-6H2;2*2-3H,1H3
InChIKeyQWSATQHVHSPFJP-UHFFFAOYSA-N
XLogP1.42
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;bis(1-methylpyrrole-2,5-dione)?
The IUPAC name of cyclohexane;bis(1-methylpyrrole-2,5-dione) (CID 22365229) is cyclohexane;bis(1-methylpyrrole-2,5-dione).
What is the SMILES notation for cyclohexane;bis(1-methylpyrrole-2,5-dione)?
The canonical SMILES for cyclohexane;bis(1-methylpyrrole-2,5-dione) is C1CCCCC1.CN1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.
What is the InChIKey of cyclohexane;bis(1-methylpyrrole-2,5-dione)?
The InChIKey is QWSATQHVHSPFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H5NO2/c1-2-4-6-5-3-1;2*1-6-4(7)2-3-5(6)8/h1-6H2;2*2-3H,1H3.
What are the key properties of cyclohexane;bis(1-methylpyrrole-2,5-dione)?
cyclohexane;bis(1-methylpyrrole-2,5-dione) has a molecular weight of 306.36 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;bis(1-methylpyrrole-2,5-dione) is sourced from PubChem (CID 22365229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).