5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole

C10H10IN — CID 118087484

IUPAC5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole
SMILESIc1ccccc1C1=NCCC1
InChIInChI=1S/C10H10IN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5H,3,6-7H2
InChIKeyBBWIRBQZEKBNJB-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.87
Rot. Bonds1

About 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole

5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 118087484) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID118087484
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole
SMILESIc1ccccc1C1=NCCC1
InChIInChI=1S/C10H10IN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5H,3,6-7H2
InChIKeyBBWIRBQZEKBNJB-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
1-Methyl-3,4-dihydroisoquinoline
CID 231502
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
6-(3-Iodophenyl)-2,3,4,5-tetrahydropyridine
CID 127028296
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
1,3-Dimethyl-3,4-dihydroisoquinoline
CID 3245338
Benzylideneoctylamine
CID 525558
5,5-dimethyl-2-phenyl-1-pyrroline-N-oxide
CID 124368
3-Phenyl-2H-azirine
CID 275913
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole (CID 118087484) is 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole is Ic1ccccc1C1=NCCC1.
What is the InChIKey of 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is BBWIRBQZEKBNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5H,3,6-7H2.
What are the key properties of 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole?
5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 271.10 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 118087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).