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

C7H13Br2N — CID 67211813

IUPAC1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide
SMILESBr.BrCCCN1C=CCC1
InChIInChI=1S/C7H12BrN.BrH/c8-4-3-7-9-5-1-2-6-9;/h1,5H,2-4,6-7H2;1H
InChIKeyYOAIYTITWIXVFT-UHFFFAOYSA-N
MW271.00 g/mol
LogP2.57
Rot. Bonds3

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

1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide (PubChem CID 67211813) has the molecular formula C7H13Br2N and a molecular weight of 271.00 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide.

Molecular Properties

Compound Name1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide
PubChem CID67211813
Molecular FormulaC7H13Br2N
Molecular Weight271.00 g/mol
Exact Mass268.94
IUPAC Name1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide
SMILESBr.BrCCCN1C=CCC1
InChIInChI=1S/C7H12BrN.BrH/c8-4-3-7-9-5-1-2-6-9;/h1,5H,2-4,6-7H2;1H
InChIKeyYOAIYTITWIXVFT-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.00
LogP ≤ 52.57
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;hydrobromide?
The IUPAC name of 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide (CID 67211813) is 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide.
What is the SMILES notation for 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide?
The canonical SMILES for 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide is Br.BrCCCN1C=CCC1.
What is the InChIKey of 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide?
The InChIKey is YOAIYTITWIXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN.BrH/c8-4-3-7-9-5-1-2-6-9;/h1,5H,2-4,6-7H2;1H.
What are the key properties of 1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide?
1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide has a molecular weight of 271.00 g/mol, XLogP of 2.57, 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;hydrobromide is sourced from PubChem (CID 67211813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).