4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine

C12H14N2O4 — CID 70594928

IUPAC4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine
SMILESCN1CCOC(=COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H14N2O4/c1-13-6-7-17-12(8-13)9-18-11-4-2-10(3-5-11)14(15)16/h2-5,9H,6-8H2,1H3
InChIKeyXCRTZXGKEGPOIA-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.78
Rot. Bonds3

About 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine

4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine (PubChem CID 70594928) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine.

Molecular Properties

Compound Name4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine
PubChem CID70594928
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine
SMILESCN1CCOC(=COc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H14N2O4/c1-13-6-7-17-12(8-13)9-18-11-4-2-10(3-5-11)14(15)16/h2-5,9H,6-8H2,1H3
InChIKeyXCRTZXGKEGPOIA-UHFFFAOYSA-N
XLogP1.78
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-[(4-nitrophenoxy)methylidene]morpholine;hydrochloride
CID 70598986
4-tert-butyl-2-[(4-nitrophenoxy)methylidene]morpholine;hydrochloride
CID 70596550
chloromethane;(4-nitrophenyl) formate
CID 143083318
1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazine
CID 1107115
1-methyl-4-(4-nitrophenoxy)-3,6-dihydro-2H-pyridine
CID 10059915
1-(2,2-dichloroethenoxy)-4-nitrobenzene
CID 172715409
N-methyl-2-(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 143919927
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
(2R)-2-methyl-2-(4-nitrophenoxy)oxirane
CID 141098468
4-(4-nitrophenyl)selanylmorpholine
CID 23279168
4-methyl-8-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 67263378
CID 153008841
CID 153008841

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine?
The IUPAC name of 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine (CID 70594928) is 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine.
What is the SMILES notation for 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine?
The canonical SMILES for 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine is CN1CCOC(=COc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine?
The InChIKey is XCRTZXGKEGPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-6-7-17-12(8-13)9-18-11-4-2-10(3-5-11)14(15)16/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine?
4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine has a molecular weight of 250.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-nitrophenoxy)methylidene]morpholine is sourced from PubChem (CID 70594928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).