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

C11H19NO — CID 143542471

IUPACethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine
SMILESC=C/C=C1/NCCO/C1=C/C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10-8;1-2/h3-5,10H,1,6-7H2,2H3;1-2H3/b8-5+,9-4+;
InChIKeyMIHMYXVINUMGDX-YKAKIOLUSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds1

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

ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine (PubChem CID 143542471) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine
PubChem CID143542471
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine
SMILESC=C/C=C1/NCCO/C1=C/C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10-8;1-2/h3-5,10H,1,6-7H2,2H3;1-2H3/b8-5+,9-4+;
InChIKeyMIHMYXVINUMGDX-YKAKIOLUSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine (CID 143542471) is ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine is C=C/C=C1/NCCO/C1=C/C.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine?
The InChIKey is MIHMYXVINUMGDX-YKAKIOLUSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10-8;1-2/h3-5,10H,1,6-7H2,2H3;1-2H3/b8-5+,9-4+;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine?
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine has a molecular weight of 181.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine is sourced from PubChem (CID 143542471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).