1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine

C12H18ClN — CID 123897447

IUPAC1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine
SMILESC=CC(=CC=CCl)CCCN1CCC1
InChIInChI=1S/C12H18ClN/c1-2-12(6-3-8-13)7-4-9-14-10-5-11-14/h2-3,6,8H,1,4-5,7,9-11H2
InChIKeyOVKZYLXILZELEO-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.34
Rot. Bonds6

About 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine

1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine (PubChem CID 123897447) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine.

Molecular Properties

Compound Name1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine
PubChem CID123897447
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine
SMILESC=CC(=CC=CCl)CCCN1CCC1
InChIInChI=1S/C12H18ClN/c1-2-12(6-3-8-13)7-4-9-14-10-5-11-14/h2-3,6,8H,1,4-5,7,9-11H2
InChIKeyOVKZYLXILZELEO-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.34
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-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
1-[(4Z,6Z)-6-chloro-7-cyclopropyloxy-4-ethenylocta-4,6-dienyl]azetidine
CID 138741832
1-[(4Z,5E)-6-bromo-4-ethylideneocta-5,7-dienyl]pyrrolidine
CID 146400111
1-(4-chlorobutyl)azepane
CID 22568254
2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
CID 163501732
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
1-hept-6-enylpiperidine
CID 143080853
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
1-(4-fluorobutyl)azetidine
CID 89149254
1-pentylpiperidine;prop-1-ene
CID 174775307
(2S)-2-amino-4-cyclopropyl-N-[(2R,3E,5Z)-6-ethenyl-3-methyl-10-pyrrolidin-1-yldeca-3,5-dien-2-yl]butanamide
CID 167203975
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine?
The IUPAC name of 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine (CID 123897447) is 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine.
What is the SMILES notation for 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine?
The canonical SMILES for 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine is C=CC(=CC=CCl)CCCN1CCC1.
What is the InChIKey of 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine?
The InChIKey is OVKZYLXILZELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-2-12(6-3-8-13)7-4-9-14-10-5-11-14/h2-3,6,8H,1,4-5,7,9-11H2.
What are the key properties of 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine?
1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine has a molecular weight of 211.74 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-ethenylhepta-4,6-dienyl)azetidine is sourced from PubChem (CID 123897447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).