1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine

C14H22BrN — CID 146400111

IUPAC1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine
SMILESC=C/C(Br)=C\C(=C/C)CCCN1CCCC1
InChIInChI=1S/C14H22BrN/c1-3-13(12-14(15)4-2)8-7-11-16-9-5-6-10-16/h3-4,12H,2,5-11H2,1H3/b13-3-,14-12+
InChIKeyUAOIRCRWFLEDKQ-WPARKRBGSA-N
MW284.24 g/mol
LogP4.27
Rot. Bonds6

About 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine

1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine (PubChem CID 146400111) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine
PubChem CID146400111
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine
SMILESC=C/C(Br)=C\C(=C/C)CCCN1CCCC1
InChIInChI=1S/C14H22BrN/c1-3-13(12-14(15)4-2)8-7-11-16-9-5-6-10-16/h3-4,12H,2,5-11H2,1H3/b13-3-,14-12+
InChIKeyUAOIRCRWFLEDKQ-WPARKRBGSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.27
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

1-pentylpiperidine;prop-1-ene
CID 174775307
1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine
CID 123897447
1-[(Z,4Z)-4-ethylidenehept-5-enyl]-4-methylpiperidine
CID 143745628
1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine
CID 138741832
prop-1-ene;1-propylpyrrolidine
CID 143531885
1-hept-6-enylpiperidine
CID 143080853
methyl 4-(azocan-1-yl)butanoate
CID 43377737
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
CID 163501732
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
ethyl 4-piperidin-1-ylbutanoate
CID 14044356

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine (CID 146400111) is 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine is C=C/C(Br)=C\C(=C/C)CCCN1CCCC1.
What is the InChIKey of 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine?
The InChIKey is UAOIRCRWFLEDKQ-WPARKRBGSA-N. The full InChI is InChI=1S/C14H22BrN/c1-3-13(12-14(15)4-2)8-7-11-16-9-5-6-10-16/h3-4,12H,2,5-11H2,1H3/b13-3-,14-12+.
What are the key properties of 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine?
1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine has a molecular weight of 284.24 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine is sourced from PubChem (CID 146400111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).