1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine

C15H19ClN2 — CID 6445877

IUPAC1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
SMILESC/C=C/CN1CCC/C1=N\c1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/b4-3+,17-15+
InChIKeyHKWAMTPPWKSZTK-VGIJSQPASA-N
MW262.78 g/mol
LogP4.35
Rot. Bonds3

About 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine

1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine (PubChem CID 6445877) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
PubChem CID6445877
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
SMILESC/C=C/CN1CCC/C1=N\c1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/b4-3+,17-15+
InChIKeyHKWAMTPPWKSZTK-VGIJSQPASA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine (CID 6445877) is 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine is C/C=C/CN1CCC/C1=N\c1ccc(Cl)cc1C.
What is the InChIKey of 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
The InChIKey is HKWAMTPPWKSZTK-VGIJSQPASA-N. The full InChI is InChI=1S/C15H19ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h3-4,7-8,11H,5-6,9-10H2,1-2H3/b4-3+,17-15+.
What are the key properties of 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine has a molecular weight of 262.78 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 6445877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).