N-hexa-3,5-dienylacetamide;yttrium

C8H11NOY-2 — CID 59663061

IUPACN-hexa-3,5-dienylacetamide;yttrium
SMILES[H]/[C-]=C/C=[C-]/CCNC(C)=O.[Y]
InChIInChI=1S/C8H11NO.Y/c1-3-4-5-6-7-9-8(2)10;/h1,3-4H,6-7H2,2H3,(H,9,10);/q-2;
InChIKeyMWBLJOLYMBRLEO-UHFFFAOYSA-N
MW226.09 g/mol
LogP0.86
Rot. Bonds4

About N-hexa-3,5-dienylacetamide;yttrium

N-hexa-3,5-dienylacetamide;yttrium (PubChem CID 59663061) has the molecular formula C8H11NOY-2 and a molecular weight of 226.09 g/mol. Its IUPAC name is N-hexa-3,5-dienylacetamide;yttrium.

Molecular Properties

Compound NameN-hexa-3,5-dienylacetamide;yttrium
PubChem CID59663061
Molecular FormulaC8H11NOY-2
Molecular Weight226.09 g/mol
Exact Mass225.99
IUPAC NameN-hexa-3,5-dienylacetamide;yttrium
SMILES[H]/[C-]=C/C=[C-]/CCNC(C)=O.[Y]
InChIInChI=1S/C8H11NO.Y/c1-3-4-5-6-7-9-8(2)10;/h1,3-4H,6-7H2,2H3,(H,9,10);/q-2;
InChIKeyMWBLJOLYMBRLEO-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-3,5-dienylacetamide;yttrium?
The IUPAC name of N-hexa-3,5-dienylacetamide;yttrium (CID 59663061) is N-hexa-3,5-dienylacetamide;yttrium.
What is the SMILES notation for N-hexa-3,5-dienylacetamide;yttrium?
The canonical SMILES for N-hexa-3,5-dienylacetamide;yttrium is [H]/[C-]=C/C=[C-]/CCNC(C)=O.[Y].
What is the InChIKey of N-hexa-3,5-dienylacetamide;yttrium?
The InChIKey is MWBLJOLYMBRLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.Y/c1-3-4-5-6-7-9-8(2)10;/h1,3-4H,6-7H2,2H3,(H,9,10);/q-2;.
What are the key properties of N-hexa-3,5-dienylacetamide;yttrium?
N-hexa-3,5-dienylacetamide;yttrium has a molecular weight of 226.09 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-3,5-dienylacetamide;yttrium is sourced from PubChem (CID 59663061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).