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

C15H23N2OY- — CID 177235139

IUPACethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium
SMILESCC.[H]/N=C(\C=C/CC)Oc1c[c-]c(C(C)C)cn1.[Y]
InChIInChI=1S/C13H17N2O.C2H6.Y/c1-4-5-6-12(14)16-13-8-7-11(9-15-13)10(2)3;1-2;/h5-6,8-10,14H,4H2,1-3H3;1-2H3;/q-1;;/b6-5-,14-12+;;
InChIKeyLBYQDESFGDTCCX-AIPRNVJESA-N
MW336.27 g/mol
LogP4.35
Rot. Bonds4

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

ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium (PubChem CID 177235139) has the molecular formula C15H23N2OY- and a molecular weight of 336.27 g/mol. Its IUPAC name is ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium.

Molecular Properties

Compound Nameethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium
PubChem CID177235139
Molecular FormulaC15H23N2OY-
Molecular Weight336.27 g/mol
Exact Mass336.09
IUPAC Nameethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium
SMILESCC.[H]/N=C(\C=C/CC)Oc1c[c-]c(C(C)C)cn1.[Y]
InChIInChI=1S/C13H17N2O.C2H6.Y/c1-4-5-6-12(14)16-13-8-7-11(9-15-13)10(2)3;1-2;/h5-6,8-10,14H,4H2,1-3H3;1-2H3;/q-1;;/b6-5-,14-12+;;
InChIKeyLBYQDESFGDTCCX-AIPRNVJESA-N
XLogP4.35
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.35
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'}

Analyze ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E)-3-(1-aminopropan-2-yl)-N-methylpenta-2,4-dienimidate
CID 144468601
2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;ethane;yttrium
CID 168176142
(E)-3-methylimino-2-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium
CID 172336197
6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 176600357
2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 176600372
ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium
CID 177235598
(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium
CID 177235695

Frequently Asked Questions

What is the IUPAC name of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium?
The IUPAC name of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium (CID 177235139) is ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium.
What is the SMILES notation for ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium?
The canonical SMILES for ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium is CC.[H]/N=C(\C=C/CC)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)-pent-2-enimidate;yttrium?
The InChIKey is LBYQDESFGDTCCX-AIPRNVJESA-N. The full InChI is InChI=1S/C13H17N2O.C2H6.Y/c1-4-5-6-12(14)16-13-8-7-11(9-15-13)10(2)3;1-2;/h5-6,8-10,14H,4H2,1-3H3;1-2H3;/q-1;;/b6-5-,14-12+;;.
What are the key properties of ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium?
ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium has a molecular weight of 336.27 g/mol, XLogP of 4.35, 4 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)-pent-2-enimidate;yttrium is sourced from PubChem (CID 177235139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).