1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine

C15H24FN — CID 129295738

IUPAC1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
SMILESC/C=C/C=C(\C=C(/C)F)CCCN1CCCC1
InChIInChI=1S/C15H24FN/c1-3-4-8-15(13-14(2)16)9-7-12-17-10-5-6-11-17/h3-4,8,13H,5-7,9-12H2,1-2H3/b4-3+,14-13+,15-8-
InChIKeyMRJODOKGYCVRPB-BTXRNEBQSA-N
MW237.36 g/mol
LogP4.24
Rot. Bonds6

About 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine

1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine (PubChem CID 129295738) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
PubChem CID129295738
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
SMILESC/C=C/C=C(\C=C(/C)F)CCCN1CCCC1
InChIInChI=1S/C15H24FN/c1-3-4-8-15(13-14(2)16)9-7-12-17-10-5-6-11-17/h3-4,8,13H,5-7,9-12H2,1-2H3/b4-3+,14-13+,15-8-
InChIKeyMRJODOKGYCVRPB-BTXRNEBQSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
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(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
1-[(4E,6Z,8E)-9-fluoro-4-methylnona-4,6,8-trienyl]piperidine
CID 130243379
(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
CID 130243422
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
CID 130317615
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675
(5Z,7E)-7-fluoro-N,3-dimethyl-4-methylidene-N-propylnona-5,7-dien-1-amine
CID 134365787
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
CID 134386180
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 134549535

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine?
The IUPAC name of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine (CID 129295738) is 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine?
The canonical SMILES for 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine is C/C=C/C=C(\C=C(/C)F)CCCN1CCCC1.
What is the InChIKey of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine?
The InChIKey is MRJODOKGYCVRPB-BTXRNEBQSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-4-8-15(13-14(2)16)9-7-12-17-10-5-6-11-17/h3-4,8,13H,5-7,9-12H2,1-2H3/b4-3+,14-13+,15-8-.
What are the key properties of 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine?
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine has a molecular weight of 237.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine is sourced from PubChem (CID 129295738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).