(2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium

C7H5ClOY-2 — CID 134850476

IUPAC(2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium
SMILES[H]/[C-]=C(/C=[C-]/[H])\C=C\C(=O)Cl.[Y]
InChIInChI=1S/C7H5ClO.Y/c1-3-6(2)4-5-7(8)9;/h1-5H;/q-2;/b5-4+;
InChIKeyYASWRLDZPRZLDJ-FXRZFVDSSA-N
MW229.48 g/mol
LogP1.65
Rot. Bonds3

About (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium

(2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium (PubChem CID 134850476) has the molecular formula C7H5ClOY-2 and a molecular weight of 229.48 g/mol. Its IUPAC name is (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium.

Molecular Properties

Compound Name(2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium
PubChem CID134850476
Molecular FormulaC7H5ClOY-2
Molecular Weight229.48 g/mol
Exact Mass228.91
IUPAC Name(2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium
SMILES[H]/[C-]=C(/C=[C-]/[H])\C=C\C(=O)Cl.[Y]
InChIInChI=1S/C7H5ClO.Y/c1-3-6(2)4-5-7(8)9;/h1-5H;/q-2;/b5-4+;
InChIKeyYASWRLDZPRZLDJ-FXRZFVDSSA-N
XLogP1.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium?
The IUPAC name of (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium (CID 134850476) is (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium.
What is the SMILES notation for (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium?
The canonical SMILES for (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium is [H]/[C-]=C(/C=[C-]/[H])\C=C\C(=O)Cl.[Y].
What is the InChIKey of (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium?
The InChIKey is YASWRLDZPRZLDJ-FXRZFVDSSA-N. The full InChI is InChI=1S/C7H5ClO.Y/c1-3-6(2)4-5-7(8)9;/h1-5H;/q-2;/b5-4+;.
What are the key properties of (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium?
(2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium has a molecular weight of 229.48 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methanidylidenehexa-2,5-dienoyl chloride;yttrium is sourced from PubChem (CID 134850476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).