1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine

C20H23N — CID 70619881

IUPAC1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine
SMILESCC(=CCN1CCCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H23N/c1-17(13-16-21-14-7-8-15-21)19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-6,9-13H,7-8,14-16H2,1H3
InChIKeyCAKMZVYYIXOEIU-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.85
Rot. Bonds4

About 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine

1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine (PubChem CID 70619881) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine
PubChem CID70619881
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine
SMILESCC(=CCN1CCCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H23N/c1-17(13-16-21-14-7-8-15-21)19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-6,9-13H,7-8,14-16H2,1H3
InChIKeyCAKMZVYYIXOEIU-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
CID 70595509
2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
CID 70596495
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
CID 102364052
1-hydroxy-4-(2-phenylphenyl)pent-3-en-2-one
CID 154384434
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
3-(5-bromo-2-phenylphenyl)but-2-en-1-ol
CID 91187120
1-(4-bromobuta-2,3-dien-2-yl)-2-phenylbenzene
CID 88812919
4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
CID 126449800
2-[4-[[(3R)-3-carbamoyl-3-methylpiperidin-1-yl]methyl]phenyl]benzoic acid
CID 125014660
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911336
acetylene;2-phenylbenzoic acid
CID 67726329

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine?
The IUPAC name of 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine (CID 70619881) is 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine is CC(=CCN1CCCC1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine?
The InChIKey is CAKMZVYYIXOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-17(13-16-21-14-7-8-15-21)19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-6,9-13H,7-8,14-16H2,1H3.
What are the key properties of 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine?
1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine has a molecular weight of 277.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine is sourced from PubChem (CID 70619881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).