1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine

C16H24ClNO — CID 138741832

IUPAC1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine
SMILESC=C/C(=C\C(Cl)=C(/C)OC1CC1)CCCN1CCC1
InChIInChI=1S/C16H24ClNO/c1-3-14(6-4-9-18-10-5-11-18)12-16(17)13(2)19-15-7-8-15/h3,12,15H,1,4-11H2,2H3/b14-12+,16-13-
InChIKeyQQZVDTHCWFCVSL-QLKCLSONSA-N
MW281.83 g/mol
LogP4.23
Rot. Bonds8

About 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine

1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine (PubChem CID 138741832) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine.

Molecular Properties

Compound Name1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine
PubChem CID138741832
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine
SMILESC=C/C(=C\C(Cl)=C(/C)OC1CC1)CCCN1CCC1
InChIInChI=1S/C16H24ClNO/c1-3-14(6-4-9-18-10-5-11-18)12-16(17)13(2)19-15-7-8-15/h3,12,15H,1,4-11H2,2H3/b14-12+,16-13-
InChIKeyQQZVDTHCWFCVSL-QLKCLSONSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine
CID 123897447
1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine
CID 146400111
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
CID 57137789
4-(4-acetylpiperazin-1-yl)butanoyl chloride
CID 39255372
ethane;[(3Z)-3-ethenyl-5-methylhexa-3,5-dienoxy]cyclopropane
CID 155687678
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
1-heptylazetidine
CID 134402356
1-[2-(2-chloro-4-ethylhexa-2,4-dien-3-yl)oxyethyl]azepane
CID 123511039
(Z)-N-methoxy-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
CID 156720019
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine?
The IUPAC name of 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine (CID 138741832) is 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine.
What is the SMILES notation for 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine?
The canonical SMILES for 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine is C=C/C(=C\C(Cl)=C(/C)OC1CC1)CCCN1CCC1.
What is the InChIKey of 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine?
The InChIKey is QQZVDTHCWFCVSL-QLKCLSONSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-14(6-4-9-18-10-5-11-18)12-16(17)13(2)19-15-7-8-15/h3,12,15H,1,4-11H2,2H3/b14-12+,16-13-.
What are the key properties of 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine?
1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine has a molecular weight of 281.83 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine is sourced from PubChem (CID 138741832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).