(2-nitrophenyl) morpholine-4-carboxylate

C11H12N2O5 — CID 895649

IUPAC(2-nitrophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-4-2-1-3-9(10)13(15)16/h1-4H,5-8H2
InChIKeyWHDQTDGAASCPQF-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.43
Rot. Bonds2

About (2-nitrophenyl) morpholine-4-carboxylate

(2-nitrophenyl) morpholine-4-carboxylate (PubChem CID 895649) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2-nitrophenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-nitrophenyl) morpholine-4-carboxylate
PubChem CID895649
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name(2-nitrophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-4-2-1-3-9(10)13(15)16/h1-4H,5-8H2
InChIKeyWHDQTDGAASCPQF-UHFFFAOYSA-N
XLogP1.43
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2-nitrophenyl) 2-morpholin-4-ylacetate
CID 164900000
(5-nitroquinolin-8-yl) morpholine-4-carboxylate
CID 175460735
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate
CID 87056849
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
(2-nitrophenyl) 4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxylate
CID 134106265
(2,4-dinitrophenyl) piperidine-1-carboxylate
CID 130386205
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2192908
morpholin-4-yl-[2-(5-nitroquinolin-8-yl)oxyphenyl]methanone
CID 17174929
2-(2-nitrophenoxy)benzoic acid
CID 19922477
morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
CID 56789582
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) morpholine-4-carboxylate?
The IUPAC name of (2-nitrophenyl) morpholine-4-carboxylate (CID 895649) is (2-nitrophenyl) morpholine-4-carboxylate.
What is the SMILES notation for (2-nitrophenyl) morpholine-4-carboxylate?
The canonical SMILES for (2-nitrophenyl) morpholine-4-carboxylate is O=C(Oc1ccccc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of (2-nitrophenyl) morpholine-4-carboxylate?
The InChIKey is WHDQTDGAASCPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-4-2-1-3-9(10)13(15)16/h1-4H,5-8H2.
What are the key properties of (2-nitrophenyl) morpholine-4-carboxylate?
(2-nitrophenyl) morpholine-4-carboxylate has a molecular weight of 252.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) morpholine-4-carboxylate is sourced from PubChem (CID 895649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).