N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine

C12H15N3O3 — CID 154248538

IUPACN-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine
SMILESCCC(=CC(=NO)c1ccccn1)C(C)[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c1-3-10(9(2)15(17)18)8-12(14-16)11-6-4-5-7-13-11/h4-9,16H,3H2,1-2H3
InChIKeyCPWOGDSEIFQXJT-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.26
Rot. Bonds5

About N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine

N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine (PubChem CID 154248538) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine
PubChem CID154248538
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine
SMILESCCC(=CC(=NO)c1ccccn1)C(C)[N+](=O)[O-]
InChIInChI=1S/C12H15N3O3/c1-3-10(9(2)15(17)18)8-12(14-16)11-6-4-5-7-13-11/h4-9,16H,3H2,1-2H3
InChIKeyCPWOGDSEIFQXJT-UHFFFAOYSA-N
XLogP2.26
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-nitro-N-pyridin-2-ylpropan-1-imine
CID 54493373
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
1,3-dipyridin-2-ylpent-2-en-1-one
CID 91328700
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate
CID 173495171
3-propylimino-1-pyridin-2-ylpropan-1-one
CID 90739015
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
CID 21313717
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036
(3S)-4-nitro-1-pyridin-2-yl-3-thiophen-2-ylbutan-1-one
CID 132851496
gallium;bis(N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-N'-ethylcarbamimidothioate);nitrate
CID 42631898

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine?
The IUPAC name of N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine (CID 154248538) is N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine.
What is the SMILES notation for N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine?
The canonical SMILES for N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine is CCC(=CC(=NO)c1ccccn1)C(C)[N+](=O)[O-].
What is the InChIKey of N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine?
The InChIKey is CPWOGDSEIFQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-10(9(2)15(17)18)8-12(14-16)11-6-4-5-7-13-11/h4-9,16H,3H2,1-2H3.
What are the key properties of N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine?
N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine has a molecular weight of 249.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine is sourced from PubChem (CID 154248538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).