5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C14H15IN2O2 — CID 114512713

IUPAC5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(c3ccc(I)cn3)C(=O)C2C1
InChIInChI=1S/C14H15IN2O2/c1-2-8-5-10-11(6-8)14(19)17(13(10)18)12-4-3-9(15)7-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3
InChIKeyCDLHAPLDQVJTNF-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.61
Rot. Bonds2

About 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114512713) has the molecular formula C14H15IN2O2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114512713
Molecular FormulaC14H15IN2O2
Molecular Weight370.19 g/mol
Exact Mass370.02
IUPAC Name5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(c3ccc(I)cn3)C(=O)C2C1
InChIInChI=1S/C14H15IN2O2/c1-2-8-5-10-11(6-8)14(19)17(13(10)18)12-4-3-9(15)7-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3
InChIKeyCDLHAPLDQVJTNF-UHFFFAOYSA-N
XLogP2.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114512713) is 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(c3ccc(I)cn3)C(=O)C2C1.
What is the InChIKey of 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is CDLHAPLDQVJTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2/c1-2-8-5-10-11(6-8)14(19)17(13(10)18)12-4-3-9(15)7-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 370.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114512713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).