(2-nitrophenyl) 2-morpholin-4-ylacetate

C12H14N2O5 — CID 164900000

IUPAC(2-nitrophenyl) 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c15-12(9-13-5-7-18-8-6-13)19-11-4-2-1-3-10(11)14(16)17/h1-4H,5-9H2
InChIKeyJNGBUNUCRYDNBB-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.83
Rot. Bonds4

About (2-nitrophenyl) 2-morpholin-4-ylacetate

(2-nitrophenyl) 2-morpholin-4-ylacetate (PubChem CID 164900000) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2-nitrophenyl) 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name(2-nitrophenyl) 2-morpholin-4-ylacetate
PubChem CID164900000
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2-nitrophenyl) 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c15-12(9-13-5-7-18-8-6-13)19-11-4-2-1-3-10(11)14(16)17/h1-4H,5-9H2
InChIKeyJNGBUNUCRYDNBB-UHFFFAOYSA-N
XLogP0.83
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.83
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-nitrophenyl) morpholine-4-carboxylate
CID 895649
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2192908
2-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
[4-(morpholin-4-ylmethyl)-2-nitrophenyl] carbamate
CID 175104763
(2-nitrophenyl) pent-4-ynoate
CID 137365147
(2-nitrophenyl) 2-(furan-2-ylmethylsulfanyl)acetate
CID 139648129
(2-nitrophenyl) hexadecanoate
CID 4072416
(2S)-1-morpholin-4-ium-4-yl-3-(2-nitrophenoxy)propan-2-ol
CID 7378153
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
2-chloro-3-nitrophenol;4-[2-(2-chloro-3-nitrophenoxy)ethyl]morpholine
CID 159494926
(2-nitrophenyl) 2-(4-nitrophenoxy)acetate
CID 3340763

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) 2-morpholin-4-ylacetate?
The IUPAC name of (2-nitrophenyl) 2-morpholin-4-ylacetate (CID 164900000) is (2-nitrophenyl) 2-morpholin-4-ylacetate.
What is the SMILES notation for (2-nitrophenyl) 2-morpholin-4-ylacetate?
The canonical SMILES for (2-nitrophenyl) 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl) 2-morpholin-4-ylacetate?
The InChIKey is JNGBUNUCRYDNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-12(9-13-5-7-18-8-6-13)19-11-4-2-1-3-10(11)14(16)17/h1-4H,5-9H2.
What are the key properties of (2-nitrophenyl) 2-morpholin-4-ylacetate?
(2-nitrophenyl) 2-morpholin-4-ylacetate has a molecular weight of 266.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) 2-morpholin-4-ylacetate is sourced from PubChem (CID 164900000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).