ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one

C11H21NO2 — CID 143617264

IUPACethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one
SMILESC/C=C1\OCC(C)N(CC)C1=O.CC
InChIInChI=1S/C9H15NO2.C2H6/c1-4-8-9(11)10(5-2)7(3)6-12-8;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b8-4-;
InChIKeyCKYJIGNQCURAFN-ZYFYRQFPSA-N
MW199.29 g/mol
LogP2.18
Rot. Bonds1

About ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one

ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one (PubChem CID 143617264) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one.

Molecular Properties

Compound Nameethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one
PubChem CID143617264
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one
SMILESC/C=C1\OCC(C)N(CC)C1=O.CC
InChIInChI=1S/C9H15NO2.C2H6/c1-4-8-9(11)10(5-2)7(3)6-12-8;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b8-4-;
InChIKeyCKYJIGNQCURAFN-ZYFYRQFPSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
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(2Z)-2-(2-methylpropylidene)-4,5-di(propan-2-yl)morpholin-3-one
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CID 66789780
(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
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(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
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(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
CID 143432990
ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
CID 143433046
ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
CID 143677725
(E)-N-methyl-2-[2-(methylamino)-2-oxoethoxy]-N-propan-2-ylbut-2-enamide
CID 156292712
3-Ethoxy-1-ethylpyrrole-2,5-dione
CID 174672722

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one?
The IUPAC name of ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one (CID 143617264) is ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one.
What is the SMILES notation for ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one?
The canonical SMILES for ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one is C/C=C1\OCC(C)N(CC)C1=O.CC.
What is the InChIKey of ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one?
The InChIKey is CKYJIGNQCURAFN-ZYFYRQFPSA-N. The full InChI is InChI=1S/C9H15NO2.C2H6/c1-4-8-9(11)10(5-2)7(3)6-12-8;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b8-4-;.
What are the key properties of ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one?
ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one has a molecular weight of 199.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one is sourced from PubChem (CID 143617264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).