1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane

C12H21BF3N — CID 10944742

IUPAC1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
SMILESC1=C(CCN2CCCC2)CCCC1.FB(F)F
InChIInChI=1S/C12H21N.BF3/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13;2-1(3)4/h6H,1-5,7-11H2;
InChIKeyDURDZXNENOZVEU-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.85
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane

1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane (PubChem CID 10944742) has the molecular formula C12H21BF3N and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
PubChem CID10944742
Molecular FormulaC12H21BF3N
Molecular Weight247.11 g/mol
Exact Mass247.17
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
SMILESC1=C(CCN2CCCC2)CCCC1.FB(F)F
InChIInChI=1S/C12H21N.BF3/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13;2-1(3)4/h6H,1-5,7-11H2;
InChIKeyDURDZXNENOZVEU-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
2-[2-(cyclohexen-1-yl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107854223
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
CID 113073175
cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
CID 113073170
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
CID 82287017
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113073154
3-[1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 167968169
4-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 113073163
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane (CID 10944742) is 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane is C1=C(CCN2CCCC2)CCCC1.FB(F)F.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane?
The InChIKey is DURDZXNENOZVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.BF3/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13;2-1(3)4/h6H,1-5,7-11H2;.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane?
1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane has a molecular weight of 247.11 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane is sourced from PubChem (CID 10944742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).