N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium

C13H15NOY-2 — CID 58065578

IUPACN-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium
SMILESCC/[C-]=C/C=[C-]/CC(=O)NC1=CC=CC1.[Y]
InChIInChI=1S/C13H15NO.Y/c1-2-3-4-5-6-11-13(15)14-12-9-7-8-10-12;/h4-5,7-9H,2,10-11H2,1H3,(H,14,15);/q-2;
InChIKeyFXPXUDGEKMTZMG-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium

N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium (PubChem CID 58065578) has the molecular formula C13H15NOY-2 and a molecular weight of 290.18 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium
PubChem CID58065578
Molecular FormulaC13H15NOY-2
Molecular Weight290.18 g/mol
Exact Mass290.02
IUPAC NameN-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium
SMILESCC/[C-]=C/C=[C-]/CC(=O)NC1=CC=CC1.[Y]
InChIInChI=1S/C13H15NO.Y/c1-2-3-4-5-6-11-13(15)14-12-9-7-8-10-12;/h4-5,7-9H,2,10-11H2,1H3,(H,14,15);/q-2;
InChIKeyFXPXUDGEKMTZMG-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium (CID 58065578) is N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium is CC/[C-]=C/C=[C-]/CC(=O)NC1=CC=CC1.[Y].
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium?
The InChIKey is FXPXUDGEKMTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.Y/c1-2-3-4-5-6-11-13(15)14-12-9-7-8-10-12;/h4-5,7-9H,2,10-11H2,1H3,(H,14,15);/q-2;.
What are the key properties of N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium?
N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium has a molecular weight of 290.18 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide;yttrium is sourced from PubChem (CID 58065578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).