ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium

C11H18NOY- — CID 162730811

IUPACethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium
SMILESC=C/C=C1/NCCO/C1=[C-]/C.CC.[Y]
InChIInChI=1S/C9H12NO.C2H6.Y/c1-3-5-8-9(4-2)11-7-6-10-8;1-2;/h3,5,10H,1,6-7H2,2H3;1-2H3;/q-1;;/b8-5+;;
InChIKeyFMBJJIOQRVAVEX-RMZRELHQSA-N
MW269.18 g/mol
LogP2.41
Rot. Bonds1

About ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium

ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium (PubChem CID 162730811) has the molecular formula C11H18NOY- and a molecular weight of 269.18 g/mol. Its IUPAC name is ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium.

Molecular Properties

Compound Nameethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium
PubChem CID162730811
Molecular FormulaC11H18NOY-
Molecular Weight269.18 g/mol
Exact Mass269.05
IUPAC Nameethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium
SMILESC=C/C=C1/NCCO/C1=[C-]/C.CC.[Y]
InChIInChI=1S/C9H12NO.C2H6.Y/c1-3-5-8-9(4-2)11-7-6-10-8;1-2;/h3,5,10H,1,6-7H2,2H3;1-2H3;/q-1;;/b8-5+;;
InChIKeyFMBJJIOQRVAVEX-RMZRELHQSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenemorpholine
CID 145625423
5-methyl-6-(2-methylprop-1-enyl)-3,4-dihydro-2H-1,4-oxazine
CID 117949988
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine
CID 134406517
(5Z,7Z,9Z,11Z,13Z)-3,4-dihydro-2H-cyclododeca[b][1,4]oxazine
CID 141518119
5,6-bis(ethenyl)-3-methylidene-4H-1,4-oxazine;ethane
CID 141807843
6-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 141958693
[5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazin-2-yl]methanamine
CID 141967154

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium?
The IUPAC name of ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium (CID 162730811) is ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium.
What is the SMILES notation for ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium?
The canonical SMILES for ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium is C=C/C=C1/NCCO/C1=[C-]/C.CC.[Y].
What is the InChIKey of ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium?
The InChIKey is FMBJJIOQRVAVEX-RMZRELHQSA-N. The full InChI is InChI=1S/C9H12NO.C2H6.Y/c1-3-5-8-9(4-2)11-7-6-10-8;1-2;/h3,5,10H,1,6-7H2,2H3;1-2H3;/q-1;;/b8-5+;;.
What are the key properties of ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium?
ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium has a molecular weight of 269.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium is sourced from PubChem (CID 162730811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).