1-benzyl-2-iodopyrrole

C11H10IN — CID 139840262

IUPAC1-benzyl-2-iodopyrrole
SMILESIc1cccn1Cc1ccccc1
InChIInChI=1S/C11H10IN/c12-11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyPACQGPGQVXRGKW-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.14
Rot. Bonds2

About 1-benzyl-2-iodopyrrole

1-benzyl-2-iodopyrrole (PubChem CID 139840262) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 1-benzyl-2-iodopyrrole.

Molecular Properties

Compound Name1-benzyl-2-iodopyrrole
PubChem CID139840262
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name1-benzyl-2-iodopyrrole
SMILESIc1cccn1Cc1ccccc1
InChIInChI=1S/C11H10IN/c12-11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyPACQGPGQVXRGKW-UHFFFAOYSA-N
XLogP3.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.14
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

1,2-dibenzylpyrrole
CID 15912413
1-benzyl-2-methylsulfanylpyrrole
CID 15638991
1-(1-benzylpyrrol-2-yl)-N,N-dimethylmethanamine;iodomethane
CID 18424249
4-benzylimidazo[4,5-b]pyridine
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CID 152538187
2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione
CID 14489746
1-benzyl-3-[2-(3-benzyl-2-selanylideneimidazol-1-yl)ethyl]imidazole-2-selone
CID 102443919
1-benzyl-2-heptylpyrrole
CID 102411152
1-benzyl-4-(1-benzylpyrrol-2-yl)-2-methylpyrrole
CID 160626063
1-benzyl-2-chloroimidazole
CID 11629752
1-benzyl-4-sulfanylidenepyrimidin-2-one
CID 91621363
3-amino-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 65478210

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-iodopyrrole?
The IUPAC name of 1-benzyl-2-iodopyrrole (CID 139840262) is 1-benzyl-2-iodopyrrole.
What is the SMILES notation for 1-benzyl-2-iodopyrrole?
The canonical SMILES for 1-benzyl-2-iodopyrrole is Ic1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-iodopyrrole?
The InChIKey is PACQGPGQVXRGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c12-11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzyl-2-iodopyrrole?
1-benzyl-2-iodopyrrole has a molecular weight of 283.11 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-iodopyrrole is sourced from PubChem (CID 139840262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).