(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine

C12H21NO — CID 167006848

IUPAC(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine
SMILESC/C=C1/NCCO/C1=C/CCC(C)C
InChIInChI=1S/C12H21NO/c1-4-11-12(14-9-8-13-11)7-5-6-10(2)3/h4,7,10,13H,5-6,8-9H2,1-3H3/b11-4+,12-7+
InChIKeyIUXNGWRAWSRPEA-WJMKSPIQSA-N
MW195.31 g/mol
LogP2.83
Rot. Bonds3

About (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine

(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine (PubChem CID 167006848) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine.

Molecular Properties

Compound Name(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine
PubChem CID167006848
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine
SMILESC/C=C1/NCCO/C1=C/CCC(C)C
InChIInChI=1S/C12H21NO/c1-4-11-12(14-9-8-13-11)7-5-6-10(2)3/h4,7,10,13H,5-6,8-9H2,1-3H3/b11-4+,12-7+
InChIKeyIUXNGWRAWSRPEA-WJMKSPIQSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine?
The IUPAC name of (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine (CID 167006848) is (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine.
What is the SMILES notation for (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine?
The canonical SMILES for (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine is C/C=C1/NCCO/C1=C/CCC(C)C.
What is the InChIKey of (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine?
The InChIKey is IUXNGWRAWSRPEA-WJMKSPIQSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11-12(14-9-8-13-11)7-5-6-10(2)3/h4,7,10,13H,5-6,8-9H2,1-3H3/b11-4+,12-7+.
What are the key properties of (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine?
(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine is sourced from PubChem (CID 167006848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).