N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine

C15H19ClN2 — CID 3039751

IUPACN-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine
SMILESC=C(C)CN1CCC/C1=N\c1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2/c1-11(2)10-18-8-4-5-15(18)17-14-7-6-13(16)9-12(14)3/h6-7,9H,1,4-5,8,10H2,2-3H3/b17-15+
InChIKeyVNHYOVHZZWSNKB-BMRADRMJSA-N
MW262.78 g/mol
LogP4.35
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine

N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine (PubChem CID 3039751) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine
PubChem CID3039751
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine
SMILESC=C(C)CN1CCC/C1=N\c1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2/c1-11(2)10-18-8-4-5-15(18)17-14-7-6-13(16)9-12(14)3/h6-7,9H,1,4-5,8,10H2,2-3H3/b17-15+
InChIKeyVNHYOVHZZWSNKB-BMRADRMJSA-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 N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine (CID 3039751) is N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine is C=C(C)CN1CCC/C1=N\c1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine?
The InChIKey is VNHYOVHZZWSNKB-BMRADRMJSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-11(2)10-18-8-4-5-15(18)17-14-7-6-13(16)9-12(14)3/h6-7,9H,1,4-5,8,10H2,2-3H3/b17-15+.
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine?
N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)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 N-(4-chloro-2-methylphenyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-imine is sourced from PubChem (CID 3039751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).