1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine

C19H21N — CID 66742877

IUPAC1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine
SMILESC=C(c1ccccc1)c1cccc(C2CCN(C)C2)c1
InChIInChI=1S/C19H21N/c1-15(16-7-4-3-5-8-16)17-9-6-10-18(13-17)19-11-12-20(2)14-19/h3-10,13,19H,1,11-12,14H2,2H3
InChIKeyZHBBFDVMMQAPAW-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.17
Rot. Bonds3

About 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine

1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine (PubChem CID 66742877) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine
PubChem CID66742877
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine
SMILESC=C(c1ccccc1)c1cccc(C2CCN(C)C2)c1
InChIInChI=1S/C19H21N/c1-15(16-7-4-3-5-8-16)17-9-6-10-18(13-17)19-11-12-20(2)14-19/h3-10,13,19H,1,11-12,14H2,2H3
InChIKeyZHBBFDVMMQAPAW-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine?
The IUPAC name of 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine (CID 66742877) is 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine?
The canonical SMILES for 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine is C=C(c1ccccc1)c1cccc(C2CCN(C)C2)c1.
What is the InChIKey of 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine?
The InChIKey is ZHBBFDVMMQAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-15(16-7-4-3-5-8-16)17-9-6-10-18(13-17)19-11-12-20(2)14-19/h3-10,13,19H,1,11-12,14H2,2H3.
What are the key properties of 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine?
1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine is sourced from PubChem (CID 66742877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).