ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium

C16H25N2OY- — CID 177235598

IUPACethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium
SMILESCC.[H]/N=C(\C=C/CCC)Oc1c[c-]c(C(C)C)cn1.[Y]
InChIInChI=1S/C14H19N2O.C2H6.Y/c1-4-5-6-7-13(15)17-14-9-8-12(10-16-14)11(2)3;1-2;/h6-7,9-11,15H,4-5H2,1-3H3;1-2H3;/q-1;;/b7-6-,15-13+;;
InChIKeyORVKDBIKWWHBDJ-DHPYXJJJSA-N
MW350.30 g/mol
LogP4.74
Rot. Bonds5

About ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium

ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium (PubChem CID 177235598) has the molecular formula C16H25N2OY- and a molecular weight of 350.30 g/mol. Its IUPAC name is ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium.

Molecular Properties

Compound Nameethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium
PubChem CID177235598
Molecular FormulaC16H25N2OY-
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Nameethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium
SMILESCC.[H]/N=C(\C=C/CCC)Oc1c[c-]c(C(C)C)cn1.[Y]
InChIInChI=1S/C14H19N2O.C2H6.Y/c1-4-5-6-7-13(15)17-14-9-8-12(10-16-14)11(2)3;1-2;/h6-7,9-11,15H,4-5H2,1-3H3;1-2H3;/q-1;;/b7-6-,15-13+;;
InChIKeyORVKDBIKWWHBDJ-DHPYXJJJSA-N
XLogP4.74
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium?
The IUPAC name of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium (CID 177235598) is ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium.
What is the SMILES notation for ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium?
The canonical SMILES for ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium is CC.[H]/N=C(\C=C/CCC)Oc1c[c-]c(C(C)C)cn1.[Y].
What is the InChIKey of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium?
The InChIKey is ORVKDBIKWWHBDJ-DHPYXJJJSA-N. The full InChI is InChI=1S/C14H19N2O.C2H6.Y/c1-4-5-6-7-13(15)17-14-9-8-12(10-16-14)11(2)3;1-2;/h6-7,9-11,15H,4-5H2,1-3H3;1-2H3;/q-1;;/b7-6-,15-13+;;.
What are the key properties of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium?
ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium has a molecular weight of 350.30 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium is sourced from PubChem (CID 177235598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).