1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide

C8H14BrN — CID 3056837

IUPAC1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide
SMILESBr.C=CCN1CC=CCC1
InChIInChI=1S/C8H13N.BrH/c1-2-6-9-7-4-3-5-8-9;/h2-4H,1,5-8H2;1H
InChIKeyBXPVMGOEYJNSFU-UHFFFAOYSA-N
MW204.11 g/mol
LogP2.01
Rot. Bonds2

About 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide

1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide (PubChem CID 3056837) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide
PubChem CID3056837
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide
SMILESBr.C=CCN1CC=CCC1
InChIInChI=1S/C8H13N.BrH/c1-2-6-9-7-4-3-5-8-9;/h2-4H,1,5-8H2;1H
InChIKeyBXPVMGOEYJNSFU-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide?
The IUPAC name of 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide (CID 3056837) is 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide.
What is the SMILES notation for 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide?
The canonical SMILES for 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide is Br.C=CCN1CC=CCC1.
What is the InChIKey of 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide?
The InChIKey is BXPVMGOEYJNSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.BrH/c1-2-6-9-7-4-3-5-8-9;/h2-4H,1,5-8H2;1H.
What are the key properties of 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide?
1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide has a molecular weight of 204.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,6-dihydro-2H-pyridine;hydrobromide is sourced from PubChem (CID 3056837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).