1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine

C13H16ClN — CID 69099284

IUPAC1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccc(Cl)cc1C)N1CCCC1
InChIInChI=1S/C13H16ClN/c1-10-9-12(14)5-6-13(10)11(2)15-7-3-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyAFGLXQJIXTZHLQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.71
Rot. Bonds2

About 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine

1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine (PubChem CID 69099284) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine
PubChem CID69099284
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccc(Cl)cc1C)N1CCCC1
InChIInChI=1S/C13H16ClN/c1-10-9-12(14)5-6-13(10)11(2)15-7-3-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyAFGLXQJIXTZHLQ-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine?
The IUPAC name of 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine (CID 69099284) is 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine is C=C(c1ccc(Cl)cc1C)N1CCCC1.
What is the InChIKey of 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine?
The InChIKey is AFGLXQJIXTZHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-10-9-12(14)5-6-13(10)11(2)15-7-3-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine?
1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine has a molecular weight of 221.73 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-methylphenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 69099284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).