(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone

C13H18N4O4 — CID 115549366

IUPAC(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
SMILESCCC1COCCN1C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O4/c1-2-9-8-21-7-6-16(9)13(18)10-4-3-5-11(15-14)12(10)17(19)20/h3-5,9,15H,2,6-8,14H2,1H3
InChIKeyOOFAZLVYXHHBQK-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.13
Rot. Bonds4

About (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone

(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone (PubChem CID 115549366) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
PubChem CID115549366
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
SMILESCCC1COCCN1C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O4/c1-2-9-8-21-7-6-16(9)13(18)10-4-3-5-11(15-14)12(10)17(19)20/h3-5,9,15H,2,6-8,14H2,1H3
InChIKeyOOFAZLVYXHHBQK-UHFFFAOYSA-N
XLogP1.13
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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'}

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Related Compounds

(2-chloro-3-nitrophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 115930941
(3-hydrazinyl-2-nitrophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 115549496
(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
CID 62169101
(3-ethylmorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62236149
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
4-(3-chloro-2-nitrobenzoyl)morpholine-3-carboxamide
CID 83097351
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017
(3-ethylmorpholin-4-yl)-(4-fluoro-3-nitrophenyl)methanone
CID 43613168
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide
CID 106025899
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone (CID 115549366) is (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone is CCC1COCCN1C(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone?
The InChIKey is OOFAZLVYXHHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-9-8-21-7-6-16(9)13(18)10-4-3-5-11(15-14)12(10)17(19)20/h3-5,9,15H,2,6-8,14H2,1H3.
What are the key properties of (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone?
(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone has a molecular weight of 294.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone is sourced from PubChem (CID 115549366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).