1-(4-iodobutyl)pyrrole-2,5-dione

C8H10INO2 — CID 139913171

IUPAC1-(4-iodobutyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCI
InChIInChI=1S/C8H10INO2/c9-5-1-2-6-10-7(11)3-4-8(10)12/h3-4H,1-2,5-6H2
InChIKeyRRNDJKMEKXRYGO-UHFFFAOYSA-N
MW279.08 g/mol
LogP1.13
Rot. Bonds4

About 1-(4-iodobutyl)pyrrole-2,5-dione

1-(4-iodobutyl)pyrrole-2,5-dione (PubChem CID 139913171) has the molecular formula C8H10INO2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 1-(4-iodobutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-iodobutyl)pyrrole-2,5-dione
PubChem CID139913171
Molecular FormulaC8H10INO2
Molecular Weight279.08 g/mol
Exact Mass278.98
IUPAC Name1-(4-iodobutyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCI
InChIInChI=1S/C8H10INO2/c9-5-1-2-6-10-7(11)3-4-8(10)12/h3-4H,1-2,5-6H2
InChIKeyRRNDJKMEKXRYGO-UHFFFAOYSA-N
XLogP1.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodobutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-iodobutyl)pyrrole-2,5-dione (CID 139913171) is 1-(4-iodobutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-iodobutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-iodobutyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCI.
What is the InChIKey of 1-(4-iodobutyl)pyrrole-2,5-dione?
The InChIKey is RRNDJKMEKXRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2/c9-5-1-2-6-10-7(11)3-4-8(10)12/h3-4H,1-2,5-6H2.
What are the key properties of 1-(4-iodobutyl)pyrrole-2,5-dione?
1-(4-iodobutyl)pyrrole-2,5-dione has a molecular weight of 279.08 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 139913171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).