(4-nitrophenyl) morpholine-4-carboxylate

C11H12N2O5 — CID 735624

IUPAC(4-nitrophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-3-1-9(2-4-10)13(15)16/h1-4H,5-8H2
InChIKeyJPGDRZRANAJCIM-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.43
Rot. Bonds2

About (4-nitrophenyl) morpholine-4-carboxylate

(4-nitrophenyl) morpholine-4-carboxylate (PubChem CID 735624) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is (4-nitrophenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl) morpholine-4-carboxylate
PubChem CID735624
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name(4-nitrophenyl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-3-1-9(2-4-10)13(15)16/h1-4H,5-8H2
InChIKeyJPGDRZRANAJCIM-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

(4-nitrophenyl) 3-morpholin-4-ylazetidine-1-carboxylate
CID 175471409
(4-nitrophenyl) thiomorpholine-4-carboxylate
CID 58116495
(4-nitrophenyl) 4-phenylpiperazine-1-carboxylate
CID 59594481
(4-nitrophenyl) 3,5-dimethylpiperidine-1-carboxylate
CID 134299800
(4-nitrophenyl) 3-fluoroazetidine-1-carboxylate
CID 165117552
(4-nitrophenyl) 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 59047422
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
CID 70076614
(4-nitrophenyl) (3S)-3-cyclohexyl-4-morpholin-4-yl-4-oxobutanoate
CID 59630875
(4-nitrophenyl) 4-(2-methylpyrimidin-5-yl)piperidine-1-carboxylate
CID 177160396
(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
CID 155782764

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) morpholine-4-carboxylate?
The IUPAC name of (4-nitrophenyl) morpholine-4-carboxylate (CID 735624) is (4-nitrophenyl) morpholine-4-carboxylate.
What is the SMILES notation for (4-nitrophenyl) morpholine-4-carboxylate?
The canonical SMILES for (4-nitrophenyl) morpholine-4-carboxylate is O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of (4-nitrophenyl) morpholine-4-carboxylate?
The InChIKey is JPGDRZRANAJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-11(12-5-7-17-8-6-12)18-10-3-1-9(2-4-10)13(15)16/h1-4H,5-8H2.
What are the key properties of (4-nitrophenyl) morpholine-4-carboxylate?
(4-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 (4-nitrophenyl) morpholine-4-carboxylate is sourced from PubChem (CID 735624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).