4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine

C20H26N2O3 — CID 14595085

IUPAC4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine
SMILESO=[N+]([O-])CC(/C=C(/C1=CCCCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H26N2O3/c23-22(24)16-19(17-7-3-1-4-8-17)15-20(18-9-5-2-6-10-18)21-11-13-25-14-12-21/h1,3-4,7-9,15,19H,2,5-6,10-14,16H2/b20-15-
InChIKeyQOORKPGMNDRRIR-HKWRFOASSA-N
MW342.44 g/mol
LogP3.76
Rot. Bonds6

About 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine

4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine (PubChem CID 14595085) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine
PubChem CID14595085
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine
SMILESO=[N+]([O-])CC(/C=C(/C1=CCCCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H26N2O3/c23-22(24)16-19(17-7-3-1-4-8-17)15-20(18-9-5-2-6-10-18)21-11-13-25-14-12-21/h1,3-4,7-9,15,19H,2,5-6,10-14,16H2/b20-15-
InChIKeyQOORKPGMNDRRIR-HKWRFOASSA-N
XLogP3.76
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.76
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

4-[(Z)-1-(cyclopenten-1-yl)-2-methylsulfonylethenyl]morpholine
CID 12559930
1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-5-nitropyridin-2-one
CID 7716041
4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
CID 12972641
4-[(E)-2-nitro-1,2-diphenylethenyl]morpholine
CID 14814554
(3S)-3-[(1R)-2-nitro-1-phenylethyl]oxan-4-one
CID 102515575
3-[(1S)-2-nitro-1-phenylethyl]oxan-4-one
CID 174227471
3-[4-(morpholin-4-ylmethyl)phenyl]-4-nitro-1-phenylbutan-1-one
CID 11233987
4-[(1E,3E)-3-(cyclohexen-1-yl)-2-(ethoxymethyl)-5-methylhexa-1,3-dienyl]morpholine
CID 177476326
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine?
The IUPAC name of 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine (CID 14595085) is 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine.
What is the SMILES notation for 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine?
The canonical SMILES for 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine is O=[N+]([O-])CC(/C=C(/C1=CCCCC1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine?
The InChIKey is QOORKPGMNDRRIR-HKWRFOASSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-22(24)16-19(17-7-3-1-4-8-17)15-20(18-9-5-2-6-10-18)21-11-13-25-14-12-21/h1,3-4,7-9,15,19H,2,5-6,10-14,16H2/b20-15-.
What are the key properties of 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine?
4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine has a molecular weight of 342.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(cyclohexen-1-yl)-4-nitro-3-phenylbut-1-enyl]morpholine is sourced from PubChem (CID 14595085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).