1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine

C16H21N — CID 143999088

IUPAC1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine
SMILESC=CC1CCCN1C(=C)c1cc(C)ccc1C
InChIInChI=1S/C16H21N/c1-5-15-7-6-10-17(15)14(4)16-11-12(2)8-9-13(16)3/h5,8-9,11,15H,1,4,6-7,10H2,2-3H3
InChIKeyHDSHRFQILCDSKF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.92
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine

1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine (PubChem CID 143999088) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine
PubChem CID143999088
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine
SMILESC=CC1CCCN1C(=C)c1cc(C)ccc1C
InChIInChI=1S/C16H21N/c1-5-15-7-6-10-17(15)14(4)16-11-12(2)8-9-13(16)3/h5,8-9,11,15H,1,4,6-7,10H2,2-3H3
InChIKeyHDSHRFQILCDSKF-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine (CID 143999088) is 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine is C=CC1CCCN1C(=C)c1cc(C)ccc1C.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine?
The InChIKey is HDSHRFQILCDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-5-15-7-6-10-17(15)14(4)16-11-12(2)8-9-13(16)3/h5,8-9,11,15H,1,4,6-7,10H2,2-3H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine?
1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine has a molecular weight of 227.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)ethenyl]-2-ethenylpyrrolidine is sourced from PubChem (CID 143999088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).