3-butyl-1-methylpyrrole-2,5-dione;fluoroform

C10H14F3NO2 — CID 175284367

IUPAC3-butyl-1-methylpyrrole-2,5-dione;fluoroform
SMILESCCCCC1=CC(=O)N(C)C1=O.FC(F)F
InChIInChI=1S/C9H13NO2.CHF3/c1-3-4-5-7-6-8(11)10(2)9(7)12;2-1(3)4/h6H,3-5H2,1-2H3;1H
InChIKeyZQWMPXYUAGFFOP-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.28
Rot. Bonds3

About 3-butyl-1-methylpyrrole-2,5-dione;fluoroform

3-butyl-1-methylpyrrole-2,5-dione;fluoroform (PubChem CID 175284367) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-butyl-1-methylpyrrole-2,5-dione;fluoroform.

Molecular Properties

Compound Name3-butyl-1-methylpyrrole-2,5-dione;fluoroform
PubChem CID175284367
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name3-butyl-1-methylpyrrole-2,5-dione;fluoroform
SMILESCCCCC1=CC(=O)N(C)C1=O.FC(F)F
InChIInChI=1S/C9H13NO2.CHF3/c1-3-4-5-7-6-8(11)10(2)9(7)12;2-1(3)4/h6H,3-5H2,1-2H3;1H
InChIKeyZQWMPXYUAGFFOP-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.28
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 3-butyl-1-methylpyrrole-2,5-dione;fluoroform?
The IUPAC name of 3-butyl-1-methylpyrrole-2,5-dione;fluoroform (CID 175284367) is 3-butyl-1-methylpyrrole-2,5-dione;fluoroform.
What is the SMILES notation for 3-butyl-1-methylpyrrole-2,5-dione;fluoroform?
The canonical SMILES for 3-butyl-1-methylpyrrole-2,5-dione;fluoroform is CCCCC1=CC(=O)N(C)C1=O.FC(F)F.
What is the InChIKey of 3-butyl-1-methylpyrrole-2,5-dione;fluoroform?
The InChIKey is ZQWMPXYUAGFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.CHF3/c1-3-4-5-7-6-8(11)10(2)9(7)12;2-1(3)4/h6H,3-5H2,1-2H3;1H.
What are the key properties of 3-butyl-1-methylpyrrole-2,5-dione;fluoroform?
3-butyl-1-methylpyrrole-2,5-dione;fluoroform has a molecular weight of 237.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methylpyrrole-2,5-dione;fluoroform is sourced from PubChem (CID 175284367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).