(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone

C13H18N4O4 — CID 62242699

IUPAC(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone
SMILESCC1CN(C(=O)c2cc(NN)ccc2[N+](=O)[O-])C(C)CO1
InChIInChI=1S/C13H18N4O4/c1-8-7-21-9(2)6-16(8)13(18)11-5-10(15-14)3-4-12(11)17(19)20/h3-5,8-9,15H,6-7,14H2,1-2H3
InChIKeyXIOYKDBHDXGFLY-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.13
Rot. Bonds3

About (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone

(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone (PubChem CID 62242699) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone
PubChem CID62242699
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone
SMILESCC1CN(C(=O)c2cc(NN)ccc2[N+](=O)[O-])C(C)CO1
InChIInChI=1S/C13H18N4O4/c1-8-7-21-9(2)6-16(8)13(18)11-5-10(15-14)3-4-12(11)17(19)20/h3-5,8-9,15H,6-7,14H2,1-2H3
InChIKeyXIOYKDBHDXGFLY-UHFFFAOYSA-N
XLogP1.13
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethylmorpholin-4-yl)-[3-(methylamino)-4-nitrophenyl]methanone
CID 62680857
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(5-chloro-2-nitrophenyl)methanone
CID 81213687
(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236403
[4-(5-chloro-2-nitrobenzoyl)-2,5-dimethylpiperazin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 5105037
(5-hydrazinyl-2-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 55051176
(2,3-dichloro-5-nitrophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 107187498
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
(2,5-dimethylmorpholin-4-yl)-(2-hydrazinyl-3-pyridinyl)methanone
CID 62242697
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-chloro-2-nitrophenyl)methanone
CID 81214135
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 115491876
[5-(ethylamino)-2-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62172348

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone (CID 62242699) is (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone is CC1CN(C(=O)c2cc(NN)ccc2[N+](=O)[O-])C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone?
The InChIKey is XIOYKDBHDXGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-7-21-9(2)6-16(8)13(18)11-5-10(15-14)3-4-12(11)17(19)20/h3-5,8-9,15H,6-7,14H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone?
(2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone has a molecular weight of 294.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(5-hydrazinyl-2-nitrophenyl)methanone is sourced from PubChem (CID 62242699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).