1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine

C15H21N — CID 22250733

IUPAC1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine
SMILESC=C(C)c1cccc(CCN2CCCC2)c1
InChIInChI=1S/C15H21N/c1-13(2)15-7-5-6-14(12-15)8-11-16-9-3-4-10-16/h5-7,12H,1,3-4,8-11H2,2H3
InChIKeyMTFOKQVSWWLRLM-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine

1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine (PubChem CID 22250733) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine
PubChem CID22250733
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine
SMILESC=C(C)c1cccc(CCN2CCCC2)c1
InChIInChI=1S/C15H21N/c1-13(2)15-7-5-6-14(12-15)8-11-16-9-3-4-10-16/h5-7,12H,1,3-4,8-11H2,2H3
InChIKeyMTFOKQVSWWLRLM-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
3-[[4-(2-piperidin-1-ylethyl)anilino]methyl]benzoic acid
CID 122029535
ethane;methoxymethane;3-(2-pyrrolidin-1-ylethyl)benzonitrile
CID 142930335
4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 174749205
1-(3-isocyanatopropyl)-3-prop-1-en-2-ylbenzene
CID 87893878
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992
2,6-dimethylhepta-2,5-diene;1-prop-1-en-2-yl-2-[4-(3-prop-1-en-2-ylphenyl)but-1-en-2-yl]benzene
CID 143636343
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
3-(2-morpholin-4-ylethyl)phenol
CID 82187913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine (CID 22250733) is 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine is C=C(C)c1cccc(CCN2CCCC2)c1.
What is the InChIKey of 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine?
The InChIKey is MTFOKQVSWWLRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-13(2)15-7-5-6-14(12-15)8-11-16-9-3-4-10-16/h5-7,12H,1,3-4,8-11H2,2H3.
What are the key properties of 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine?
1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 22250733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).