1-(tribromomethyl)-2,3-dihydropyrrole

C5H6Br3N — CID 139880287

IUPAC1-(tribromomethyl)-2,3-dihydropyrrole
SMILESBrC(Br)(Br)N1C=CCC1
InChIInChI=1S/C5H6Br3N/c6-5(7,8)9-3-1-2-4-9/h1,3H,2,4H2
InChIKeyRJXALHRDDMOGPF-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.00
Rot. Bonds

About 1-(tribromomethyl)-2,3-dihydropyrrole

1-(tribromomethyl)-2,3-dihydropyrrole (PubChem CID 139880287) has the molecular formula C5H6Br3N and a molecular weight of 319.82 g/mol. Its IUPAC name is 1-(tribromomethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(tribromomethyl)-2,3-dihydropyrrole
PubChem CID139880287
Molecular FormulaC5H6Br3N
Molecular Weight319.82 g/mol
Exact Mass316.81
IUPAC Name1-(tribromomethyl)-2,3-dihydropyrrole
SMILESBrC(Br)(Br)N1C=CCC1
InChIInChI=1S/C5H6Br3N/c6-5(7,8)9-3-1-2-4-9/h1,3H,2,4H2
InChIKeyRJXALHRDDMOGPF-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tribromomethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(tribromomethyl)-2,3-dihydropyrrole (CID 139880287) is 1-(tribromomethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(tribromomethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(tribromomethyl)-2,3-dihydropyrrole is BrC(Br)(Br)N1C=CCC1.
What is the InChIKey of 1-(tribromomethyl)-2,3-dihydropyrrole?
The InChIKey is RJXALHRDDMOGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br3N/c6-5(7,8)9-3-1-2-4-9/h1,3H,2,4H2.
What are the key properties of 1-(tribromomethyl)-2,3-dihydropyrrole?
1-(tribromomethyl)-2,3-dihydropyrrole has a molecular weight of 319.82 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tribromomethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 139880287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).