1-(3-bromopropyl)-2,3-dihydropyrrole

C7H12BrN — CID 67211814

IUPAC1-(3-bromopropyl)-2,3-dihydropyrrole
SMILESBrCCCN1C=CCC1
InChIInChI=1S/C7H12BrN/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-7H2
InChIKeyXUGPNJIBTVJNLM-UHFFFAOYSA-N
MW190.08 g/mol
LogP1.99
Rot. Bonds3

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

1-(3-bromopropyl)-2,3-dihydropyrrole (PubChem CID 67211814) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(3-bromopropyl)-2,3-dihydropyrrole
PubChem CID67211814
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name1-(3-bromopropyl)-2,3-dihydropyrrole
SMILESBrCCCN1C=CCC1
InChIInChI=1S/C7H12BrN/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-7H2
InChIKeyXUGPNJIBTVJNLM-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(3-bromopropyl)-2,3-dihydropyrrole (CID 67211814) is 1-(3-bromopropyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(3-bromopropyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(3-bromopropyl)-2,3-dihydropyrrole is BrCCCN1C=CCC1.
What is the InChIKey of 1-(3-bromopropyl)-2,3-dihydropyrrole?
The InChIKey is XUGPNJIBTVJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-7H2.
What are the key properties of 1-(3-bromopropyl)-2,3-dihydropyrrole?
1-(3-bromopropyl)-2,3-dihydropyrrole has a molecular weight of 190.08 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2,3-dihydropyrrole is sourced from PubChem (CID 67211814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).