[3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate

C15H19N3O2 — CID 171653252

IUPAC[3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate
SMILESC=C/C(=N\N=C)Oc1cccc(C2CNCC(C)O2)c1
InChIInChI=1S/C15H19N3O2/c1-4-15(18-16-3)20-13-7-5-6-12(8-13)14-10-17-9-11(2)19-14/h4-8,11,14,17H,1,3,9-10H2,2H3/b18-15+
InChIKeyPCJQMJGDJGSKLC-OBGWFSINSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds4

About [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate

[3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate (PubChem CID 171653252) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate.

Molecular Properties

Compound Name[3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate
PubChem CID171653252
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate
SMILESC=C/C(=N\N=C)Oc1cccc(C2CNCC(C)O2)c1
InChIInChI=1S/C15H19N3O2/c1-4-15(18-16-3)20-13-7-5-6-12(8-13)14-10-17-9-11(2)19-14/h4-8,11,14,17H,1,3,9-10H2,2H3/b18-15+
InChIKeyPCJQMJGDJGSKLC-OBGWFSINSA-N
XLogP2.31
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
(2R,6R)-2-methyl-6-(3-pyridazin-3-yloxyphenyl)morpholine
CID 171653267
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
3-(6-methylmorpholin-2-yl)benzonitrile
CID 63991339
(2S,6R)-2-methyl-6-(2-methyl-4-pyridinyl)morpholine
CID 170711883
2-methyl-6-(4-phenylphenyl)morpholine
CID 43367004
2-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 82297062
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane
CID 157483058
2-[4-(difluoromethyl)phenyl]-6-methylmorpholine
CID 115525669

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate?
The IUPAC name of [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate (CID 171653252) is [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate.
What is the SMILES notation for [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate?
The canonical SMILES for [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate is C=C/C(=N\N=C)Oc1cccc(C2CNCC(C)O2)c1.
What is the InChIKey of [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate?
The InChIKey is PCJQMJGDJGSKLC-OBGWFSINSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-15(18-16-3)20-13-7-5-6-12(8-13)14-10-17-9-11(2)19-14/h4-8,11,14,17H,1,3,9-10H2,2H3/b18-15+.
What are the key properties of [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate?
[3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate has a molecular weight of 273.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylmorpholin-2-yl)phenyl] (1E)-N-methylideneprop-2-enehydrazonate is sourced from PubChem (CID 171653252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).