1-(2-chloroethyl)-2,5-dihydropyrrole

C6H10ClN — CID 55301090

IUPAC1-(2-chloroethyl)-2,5-dihydropyrrole
SMILESClCCN1CC=CC1
InChIInChI=1S/C6H10ClN/c7-3-6-8-4-1-2-5-8/h1-2H,3-6H2
InChIKeyQZBSNNMHXPQMIZ-UHFFFAOYSA-N
MW131.61 g/mol
LogP1.10
Rot. Bonds2

About 1-(2-chloroethyl)-2,5-dihydropyrrole

1-(2-chloroethyl)-2,5-dihydropyrrole (PubChem CID 55301090) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2-chloroethyl)-2,5-dihydropyrrole
PubChem CID55301090
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name1-(2-chloroethyl)-2,5-dihydropyrrole
SMILESClCCN1CC=CC1
InChIInChI=1S/C6H10ClN/c7-3-6-8-4-1-2-5-8/h1-2H,3-6H2
InChIKeyQZBSNNMHXPQMIZ-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(2-chloroethyl)-2,5-dihydropyrrole (CID 55301090) is 1-(2-chloroethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2-chloroethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(2-chloroethyl)-2,5-dihydropyrrole is ClCCN1CC=CC1.
What is the InChIKey of 1-(2-chloroethyl)-2,5-dihydropyrrole?
The InChIKey is QZBSNNMHXPQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c7-3-6-8-4-1-2-5-8/h1-2H,3-6H2.
What are the key properties of 1-(2-chloroethyl)-2,5-dihydropyrrole?
1-(2-chloroethyl)-2,5-dihydropyrrole has a molecular weight of 131.61 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 55301090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).