3,4-dihydro-2H-pyrrole;hydrobromide

C4H8BrN — CID 172724551

IUPAC3,4-dihydro-2H-pyrrole;hydrobromide
SMILESBr.C1=NCCC1
InChIInChI=1S/C4H7N.BrH/c1-2-4-5-3-1;/h3H,1-2,4H2;1H
InChIKeyGYTOOMYTNNADOX-UHFFFAOYSA-N
MW150.02 g/mol
LogP1.43
Rot. Bonds

About 3,4-dihydro-2H-pyrrole;hydrobromide

3,4-dihydro-2H-pyrrole;hydrobromide (PubChem CID 172724551) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;hydrobromide.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;hydrobromide
PubChem CID172724551
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name3,4-dihydro-2H-pyrrole;hydrobromide
SMILESBr.C1=NCCC1
InChIInChI=1S/C4H7N.BrH/c1-2-4-5-3-1;/h3H,1-2,4H2;1H
InChIKeyGYTOOMYTNNADOX-UHFFFAOYSA-N
XLogP1.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90995957
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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;hydrobromide?
The IUPAC name of 3,4-dihydro-2H-pyrrole;hydrobromide (CID 172724551) is 3,4-dihydro-2H-pyrrole;hydrobromide.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;hydrobromide?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;hydrobromide is Br.C1=NCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;hydrobromide?
The InChIKey is GYTOOMYTNNADOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.BrH/c1-2-4-5-3-1;/h3H,1-2,4H2;1H.
What are the key properties of 3,4-dihydro-2H-pyrrole;hydrobromide?
3,4-dihydro-2H-pyrrole;hydrobromide has a molecular weight of 150.02 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole;hydrobromide is sourced from PubChem (CID 172724551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).