N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide

C11H13N5O6 — CID 3412146

IUPACN'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C11H13N5O6/c17-11(14-3-5-22-6-4-14)13-12-9-2-1-8(15(18)19)7-10(9)16(20)21/h1-2,7,12H,3-6H2,(H,13,17)
InChIKeyWFPRRPPFLPICLM-UHFFFAOYSA-N
MW311.25 g/mol
LogP0.87
Rot. Bonds4

About N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide

N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide (PubChem CID 3412146) has the molecular formula C11H13N5O6 and a molecular weight of 311.25 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide
PubChem CID3412146
Molecular FormulaC11H13N5O6
Molecular Weight311.25 g/mol
Exact Mass311.09
IUPAC NameN'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C11H13N5O6/c17-11(14-3-5-22-6-4-14)13-12-9-2-1-8(15(18)19)7-10(9)16(20)21/h1-2,7,12H,3-6H2,(H,13,17)
InChIKeyWFPRRPPFLPICLM-UHFFFAOYSA-N
XLogP0.87
TPSA139.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(2,4-dinitrophenyl)carbamic acid
CID 154114547
2-(2-methyl-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 115571728
N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
CID 4507199
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 5035188
[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
CID 23421481
3-(2,4-dinitroanilino)oxolane-3-carboxylic acid
CID 64888318
N'-[2-nitro-4-(trifluoromethyl)phenyl]oxane-4-carbohydrazide
CID 51192645
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
(2-methyl-3,5-dinitrophenyl)-morpholin-4-ylmethanone
CID 3642904
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide?
The IUPAC name of N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide (CID 3412146) is N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide.
What is the SMILES notation for N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide?
The canonical SMILES for N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide?
The InChIKey is WFPRRPPFLPICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O6/c17-11(14-3-5-22-6-4-14)13-12-9-2-1-8(15(18)19)7-10(9)16(20)21/h1-2,7,12H,3-6H2,(H,13,17).
What are the key properties of N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide?
N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide has a molecular weight of 311.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)morpholine-4-carbohydrazide is sourced from PubChem (CID 3412146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).