methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate

C13H16N2O5 — CID 78926201

IUPACmethyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2c(C)cccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H16N2O5/c1-9-4-3-5-10(15(17)18)12(9)14-6-7-20-11(8-14)13(16)19-2/h3-5,11H,6-8H2,1-2H3
InChIKeySOHWILFZUYNYDX-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.28
Rot. Bonds3

About methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate

methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate (PubChem CID 78926201) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
PubChem CID78926201
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2c(C)cccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H16N2O5/c1-9-4-3-5-10(15(17)18)12(9)14-6-7-20-11(8-14)13(16)19-2/h3-5,11H,6-8H2,1-2H3
InChIKeySOHWILFZUYNYDX-UHFFFAOYSA-N
XLogP1.28
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]acetate
CID 79764686
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
methyl 4-(3-nitrophenyl)morpholine-2-carboxylate
CID 78926285
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
methyl 4-(3-methoxy-4-nitrophenyl)morpholine-2-carboxylate
CID 79033453
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate
CID 78926230
methyl 2-methyl-2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]propanoate
CID 133444494
methyl 2-[4-(2-methyl-3-nitrophenyl)morpholin-2-yl]acetate
CID 115538665
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
CID 102986574
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate (CID 78926201) is methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate is COC(=O)C1CN(c2c(C)cccc2[N+](=O)[O-])CCO1.
What is the InChIKey of methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate?
The InChIKey is SOHWILFZUYNYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-9-4-3-5-10(15(17)18)12(9)14-6-7-20-11(8-14)13(16)19-2/h3-5,11H,6-8H2,1-2H3.
What are the key properties of methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate?
methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).