1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine

C19H21N — CID 10563534

IUPAC1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
SMILESC(=C/C1CCCN1Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C19H21N/c1-3-8-17(9-4-1)13-14-19-12-7-15-20(19)16-18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2/b14-13+
InChIKeyBLCWPLHLOOTWJF-BUHFOSPRSA-N
MW263.38 g/mol
LogP4.36
Rot. Bonds4

About 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine

1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine (PubChem CID 10563534) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
PubChem CID10563534
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
SMILESC(=C/C1CCCN1Cc1ccccc1)\c1ccccc1
InChIInChI=1S/C19H21N/c1-3-8-17(9-4-1)13-14-19-12-7-15-20(19)16-18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2/b14-13+
InChIKeyBLCWPLHLOOTWJF-BUHFOSPRSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
1-benzyl-2-[(E)-but-1-en-3-ynyl]piperidine
CID 15867084
1,3-dibenzyl-2-[(Z)-2-phenylethenyl]imidazolidine
CID 92896790
1-benzyl-2-[(E)-2-nitroethenyl]pyrrolidine
CID 130137463
1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
CID 102408699
5-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 154747168
5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole
CID 75451554
ethyl (E)-3-[(2R)-1-benzylpyrrolidin-2-yl]prop-2-enoate
CID 100980748
(2S)-1-benzyl-2-[(E)-3-(2,6-dimethylphenyl)prop-1-enyl]piperidine
CID 100963528
7-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126799901
7-[[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124729291
2-benzyl-3-[(E)-2-phenylethenyl]-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 69284389

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine?
The IUPAC name of 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine (CID 10563534) is 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine.
What is the SMILES notation for 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine?
The canonical SMILES for 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine is C(=C/C1CCCN1Cc1ccccc1)\c1ccccc1.
What is the InChIKey of 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine?
The InChIKey is BLCWPLHLOOTWJF-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H21N/c1-3-8-17(9-4-1)13-14-19-12-7-15-20(19)16-18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2/b14-13+.
What are the key properties of 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine?
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine is sourced from PubChem (CID 10563534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).