N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride

C11H14ClN — CID 123516910

IUPACN-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride
SMILESC=CC=CC(=C)C=CC/N=C(\C)Cl
InChIInChI=1S/C11H14ClN/c1-4-5-7-10(2)8-6-9-13-11(3)12/h4-8H,1-2,9H2,3H3/b7-5?,8-6?,13-11+
InChIKeyPLTRQNKHWGJCHG-AODNKYQLSA-N
MW195.69 g/mol
LogP3.50
Rot. Bonds5

About N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride

N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride (PubChem CID 123516910) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride
PubChem CID123516910
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride
SMILESC=CC=CC(=C)C=CC/N=C(\C)Cl
InChIInChI=1S/C11H14ClN/c1-4-5-7-10(2)8-6-9-13-11(3)12/h4-8H,1-2,9H2,3H3/b7-5?,8-6?,13-11+
InChIKeyPLTRQNKHWGJCHG-AODNKYQLSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3E,5Z)-5-chloro-6-fluoro-3-methylocta-3,5,7-trien-2-yl]ethanimine
CID 144320044
N-[(3E)-3-chloro-6-methylhepta-3,5-dienyl]propan-2-imine
CID 89367414
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
N-(2-methylhepta-2,4-dienyl)ethanimine
CID 123234535
N-(2-methylidenepent-3-enyl)ethanimine
CID 123463976
N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine
CID 126663663
N-[(2Z,4E)-4-methylhepta-2,4,6-trienyl]methanimine
CID 129076458
N-[(2Z)-4,5-dimethylhexa-2,4-dienyl]methanimine
CID 135258288
(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine
CID 137417289
N-[(2Z,4Z)-4-methylhepta-2,4-dienyl]ethanimine
CID 138667921
(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
CID 142254741

Frequently Asked Questions

What is the IUPAC name of N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride?
The IUPAC name of N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride (CID 123516910) is N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride.
What is the SMILES notation for N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride?
The canonical SMILES for N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride is C=CC=CC(=C)C=CC/N=C(\C)Cl.
What is the InChIKey of N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride?
The InChIKey is PLTRQNKHWGJCHG-AODNKYQLSA-N. The full InChI is InChI=1S/C11H14ClN/c1-4-5-7-10(2)8-6-9-13-11(3)12/h4-8H,1-2,9H2,3H3/b7-5?,8-6?,13-11+.
What are the key properties of N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride?
N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride has a molecular weight of 195.69 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride is sourced from PubChem (CID 123516910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).