4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine

C17H20N2O3 — CID 82022973

IUPAC4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine
SMILESO=[N+]([O-])c1cccc(/C=C2\CCCC=C2N2CCOCC2)c1
InChIInChI=1S/C17H20N2O3/c20-19(21)16-6-3-4-14(13-16)12-15-5-1-2-7-17(15)18-8-10-22-11-9-18/h3-4,6-7,12-13H,1-2,5,8-11H2/b15-12+
InChIKeyGLPSPNIYPXWRDE-NTCAYCPXSA-N
MW300.36 g/mol
LogP3.38
Rot. Bonds3

About 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine

4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine (PubChem CID 82022973) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine.

Molecular Properties

Compound Name4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine
PubChem CID82022973
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine
SMILESO=[N+]([O-])c1cccc(/C=C2\CCCC=C2N2CCOCC2)c1
InChIInChI=1S/C17H20N2O3/c20-19(21)16-6-3-4-14(13-16)12-15-5-1-2-7-17(15)18-8-10-22-11-9-18/h3-4,6-7,12-13H,1-2,5,8-11H2/b15-12+
InChIKeyGLPSPNIYPXWRDE-NTCAYCPXSA-N
XLogP3.38
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 19958941
2,3-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 164714424
5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]pyrazol-3-one
CID 3106077
(4E)-5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]pyrazol-3-one
CID 5290483
(2E,6E)-2-[(3-chlorophenyl)methylidene]-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 57395209
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine
CID 23938920
2-[(3-nitrophenyl)methylidene]cycloheptane-1,3-dione
CID 21436724
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151
(3Z)-3-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 135576641
(3Z)-3-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazinylidene]-5-nitro-1H-indol-2-one
CID 136747958
2-methyl-N-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-3-carboxamide
CID 6901099

Frequently Asked Questions

What is the IUPAC name of 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine?
The IUPAC name of 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine (CID 82022973) is 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine.
What is the SMILES notation for 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine?
The canonical SMILES for 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine is O=[N+]([O-])c1cccc(/C=C2\CCCC=C2N2CCOCC2)c1.
What is the InChIKey of 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine?
The InChIKey is GLPSPNIYPXWRDE-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-19(21)16-6-3-4-14(13-16)12-15-5-1-2-7-17(15)18-8-10-22-11-9-18/h3-4,6-7,12-13H,1-2,5,8-11H2/b15-12+.
What are the key properties of 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine?
4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine has a molecular weight of 300.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine is sourced from PubChem (CID 82022973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).