1-[1-(4-chlorophenyl)ethenyl]pyrrolidine

C12H14ClN — CID 22719882

IUPAC1-[1-(4-chlorophenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C12H14ClN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7H,1-3,8-9H2
InChIKeyMJKILSWMLWKXPV-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.41
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine

1-[1-(4-chlorophenyl)ethenyl]pyrrolidine (PubChem CID 22719882) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethenyl]pyrrolidine
PubChem CID22719882
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-[1-(4-chlorophenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C12H14ClN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7H,1-3,8-9H2
InChIKeyMJKILSWMLWKXPV-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine (CID 22719882) is 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine is C=C(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine?
The InChIKey is MJKILSWMLWKXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7H,1-3,8-9H2.
What are the key properties of 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine?
1-[1-(4-chlorophenyl)ethenyl]pyrrolidine has a molecular weight of 207.70 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 22719882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).