3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione

C10H14FNO2 — CID 139973193

IUPAC3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione
SMILESCCCC(F)C1=C(CC)C(=O)NC1=O
InChIInChI=1S/C10H14FNO2/c1-3-5-7(11)8-6(4-2)9(13)12-10(8)14/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyIHEYNSKQQBLWIF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.49
Rot. Bonds4

About 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione

3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione (PubChem CID 139973193) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione
PubChem CID139973193
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione
SMILESCCCC(F)C1=C(CC)C(=O)NC1=O
InChIInChI=1S/C10H14FNO2/c1-3-5-7(11)8-6(4-2)9(13)12-10(8)14/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyIHEYNSKQQBLWIF-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl isobutyl maleimide
CID 85864656
Butylmaleimide
CID 21880474
3-methyl-4-propyl-1H-pyrrole-2,5-dione
CID 44718966
Ethylpropylmaleinimide
CID 85864657
N-tert-butyl-2-fluorocyclopentene-1-carboxamide
CID 59860495
N-ethyl-2-fluorocyclopentene-1-carboxamide
CID 67765166
3-Propyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole-2,5-dione
CID 91269307
2-fluoro-N-(3-methylpentan-3-yl)cyclopentene-1-carboxamide
CID 126513876
2-fluoro-N-propylcyclopentene-1-carboxamide
CID 129028318
2-fluoro-N-(2-methylpentan-2-yl)cyclopentene-1-carboxamide
CID 130178825
2-fluoro-N-(2-sulfanylpropan-2-yl)cyclopentene-1-carboxamide
CID 134338964
3-Ethyl-4-(1-fluorooctyl)pyrrole-2,5-dione
CID 139973211

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione?
The IUPAC name of 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione (CID 139973193) is 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione?
The canonical SMILES for 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione is CCCC(F)C1=C(CC)C(=O)NC1=O.
What is the InChIKey of 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione?
The InChIKey is IHEYNSKQQBLWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-3-5-7(11)8-6(4-2)9(13)12-10(8)14/h7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione?
3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione has a molecular weight of 199.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-fluorobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 139973193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).