(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine

C11H15N3O3 — CID 126012263

IUPAC(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\O
InChIInChI=1S/C11H15N3O3/c1-3-13(4-2)11-6-5-10(14(16)17)7-9(11)8-12-15/h5-8,15H,3-4H2,1-2H3/b12-8-
InChIKeyGEFZEJKDPZIVAL-WQLSENKSSA-N
MW237.26 g/mol
LogP2.25
Rot. Bonds5

About (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine

(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine (PubChem CID 126012263) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
PubChem CID126012263
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\O
InChIInChI=1S/C11H15N3O3/c1-3-13(4-2)11-6-5-10(14(16)17)7-9(11)8-12-15/h5-8,15H,3-4H2,1-2H3/b12-8-
InChIKeyGEFZEJKDPZIVAL-WQLSENKSSA-N
XLogP2.25
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[2-(diethylamino)-5-nitrophenyl]methylideneamino]benzamide
CID 4052966
N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide
CID 4914110
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
2-(N-ethyl-2-formyl-4-nitroanilino)-N-methylacetamide
CID 61448850
2-(N-ethyl-2-formyl-4-nitroanilino)-N,N-dimethylacetamide
CID 61449006
2-(chloromethyl)-N,N-diethyl-4-nitroaniline
CID 28964274
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126002124
ethyl (E)-2-cyano-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enoate
CID 126003504
2-(diethylamino)-N-hydroxy-5-nitrobenzamide
CID 91678196
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126003341
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 46501939
N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 126003279

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine (CID 126012263) is (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine is CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\O.
What is the InChIKey of (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine?
The InChIKey is GEFZEJKDPZIVAL-WQLSENKSSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-13(4-2)11-6-5-10(14(16)17)7-9(11)8-12-15/h5-8,15H,3-4H2,1-2H3/b12-8-.
What are the key properties of (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine?
(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine has a molecular weight of 237.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 126012263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).