4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine

C14H24ClN2O2+ — CID 134921230

IUPAC4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine
SMILESCC/C(=C(\C)C(Cl)=[N+]1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24ClN2O2/c1-3-13(16-4-8-18-9-5-16)12(2)14(15)17-6-10-19-11-7-17/h3-11H2,1-2H3/q+1
InChIKeyAUOURVUGNRPAED-UHFFFAOYSA-N
MW287.81 g/mol
LogP1.68
Rot. Bonds3

About 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine

4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine (PubChem CID 134921230) has the molecular formula C14H24ClN2O2+ and a molecular weight of 287.81 g/mol. Its IUPAC name is 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine
PubChem CID134921230
Molecular FormulaC14H24ClN2O2+
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine
SMILESCC/C(=C(\C)C(Cl)=[N+]1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24ClN2O2/c1-3-13(16-4-8-18-9-5-16)12(2)14(15)17-6-10-19-11-7-17/h3-11H2,1-2H3/q+1
InChIKeyAUOURVUGNRPAED-UHFFFAOYSA-N
XLogP1.68
TPSA24.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ium-4-ylidene-2-morpholin-4-ylethanedithioic acid
CID 535627
4-[(E)-hept-3-en-4-yl]morpholine
CID 6513160
(1E,3E)-1-chloro-2-methyl-4-morpholin-4-ylbuta-1,3-diene-1,4-diamine
CID 143881894
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
4-[chloro(cyclopropylidene)methyl]morpholine
CID 70266471
4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
CID 134986244
ethane;1-morpholin-4-ylethanethione
CID 142226083
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine?
The IUPAC name of 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine (CID 134921230) is 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine.
What is the SMILES notation for 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine?
The canonical SMILES for 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine is CC/C(=C(\C)C(Cl)=[N+]1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine?
The InChIKey is AUOURVUGNRPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN2O2/c1-3-13(16-4-8-18-9-5-16)12(2)14(15)17-6-10-19-11-7-17/h3-11H2,1-2H3/q+1.
What are the key properties of 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine?
4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine has a molecular weight of 287.81 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-chloro-2-methyl-1-morpholin-4-ium-4-ylidenepent-2-en-3-yl]morpholine is sourced from PubChem (CID 134921230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).