1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine

C13H16BrN — CID 101454658

IUPAC1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine
SMILESBrc1ccccc1C/C=C/N1CCCC1
InChIInChI=1S/C13H16BrN/c14-13-8-2-1-6-12(13)7-5-11-15-9-3-4-10-15/h1-2,5-6,8,11H,3-4,7,9-10H2/b11-5+
InChIKeyZXOWOCFCCAKDRV-VZUCSPMQSA-N
MW266.18 g/mol
LogP3.60
Rot. Bonds3

About 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine

1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine (PubChem CID 101454658) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine
PubChem CID101454658
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine
SMILESBrc1ccccc1C/C=C/N1CCCC1
InChIInChI=1S/C13H16BrN/c14-13-8-2-1-6-12(13)7-5-11-15-9-3-4-10-15/h1-2,5-6,8,11H,3-4,7,9-10H2/b11-5+
InChIKeyZXOWOCFCCAKDRV-VZUCSPMQSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
methyl (Z)-5-(2-bromophenyl)pent-3-enoate
CID 117267944
1-bromo-2-[(E)-4,4-dimethylpent-2-enyl]benzene
CID 101266043
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
1-[(2-bromophenyl)methyl]diazinane
CID 130961372
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-[1-(2-bromophenyl)-3-methylbutan-2-yl]piperidine
CID 176959474
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55437296

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine (CID 101454658) is 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine is Brc1ccccc1C/C=C/N1CCCC1.
What is the InChIKey of 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine?
The InChIKey is ZXOWOCFCCAKDRV-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H16BrN/c14-13-8-2-1-6-12(13)7-5-11-15-9-3-4-10-15/h1-2,5-6,8,11H,3-4,7,9-10H2/b11-5+.
What are the key properties of 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine?
1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine has a molecular weight of 266.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine is sourced from PubChem (CID 101454658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).