diethylamino 2-nitrosobenzoate

C11H14N2O3 — CID 134930377

IUPACdiethylamino 2-nitrosobenzoate
SMILESCCN(CC)OC(=O)c1ccccc1N=O
InChIInChI=1S/C11H14N2O3/c1-3-13(4-2)16-11(14)9-7-5-6-8-10(9)12-15/h5-8H,3-4H2,1-2H3
InChIKeyDSWQOHKWMRASSU-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.50
Rot. Bonds5

About diethylamino 2-nitrosobenzoate

diethylamino 2-nitrosobenzoate (PubChem CID 134930377) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is diethylamino 2-nitrosobenzoate.

Molecular Properties

Compound Namediethylamino 2-nitrosobenzoate
PubChem CID134930377
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namediethylamino 2-nitrosobenzoate
SMILESCCN(CC)OC(=O)c1ccccc1N=O
InChIInChI=1S/C11H14N2O3/c1-3-13(4-2)16-11(14)9-7-5-6-8-10(9)12-15/h5-8H,3-4H2,1-2H3
InChIKeyDSWQOHKWMRASSU-UHFFFAOYSA-N
XLogP2.50
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethylamino 2-(2-hydroxybenzoyl)benzoate
CID 87068636
diethylamino 2-hydroxynaphthalene-1-carboxylate
CID 22369256
CID 89022273
CID 89022273
3-nitroso-2-nitrosooxybenzoic acid
CID 174416036
diethyl 2-[(2-nitrosophenyl)methyl]propanedioate
CID 88989270
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-nitrosobenzamide
CID 89135948
ethyl 2-[[2-(dimethylamino)ethyl-methylamino]diazenyl]benzoate
CID 10731299
ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate
CID 122707288
N'-benzoyl-2-nitrosobenzohydrazide
CID 89185550
ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 135657427
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503

Frequently Asked Questions

What is the IUPAC name of diethylamino 2-nitrosobenzoate?
The IUPAC name of diethylamino 2-nitrosobenzoate (CID 134930377) is diethylamino 2-nitrosobenzoate.
What is the SMILES notation for diethylamino 2-nitrosobenzoate?
The canonical SMILES for diethylamino 2-nitrosobenzoate is CCN(CC)OC(=O)c1ccccc1N=O.
What is the InChIKey of diethylamino 2-nitrosobenzoate?
The InChIKey is DSWQOHKWMRASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-13(4-2)16-11(14)9-7-5-6-8-10(9)12-15/h5-8H,3-4H2,1-2H3.
What are the key properties of diethylamino 2-nitrosobenzoate?
diethylamino 2-nitrosobenzoate has a molecular weight of 222.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino 2-nitrosobenzoate is sourced from PubChem (CID 134930377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).