N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine

C10H10N2O3 — CID 74340886

IUPACN-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine
SMILESC=CCC(=NO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O3/c1-2-4-10(11-13)8-5-3-6-9(7-8)12(14)15/h2-3,5-7,13H,1,4H2
InChIKeyUGJGHXKEOUGCOS-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine

N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine (PubChem CID 74340886) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine
PubChem CID74340886
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine
SMILESC=CCC(=NO)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O3/c1-2-4-10(11-13)8-5-3-6-9(7-8)12(14)15/h2-3,5-7,13H,1,4H2
InChIKeyUGJGHXKEOUGCOS-UHFFFAOYSA-N
XLogP2.35
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

(NE)-N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine
CID 24874076
3-nitro-N-prop-2-enylbenzamide
CID 2832220
1-(3-nitrophenyl)ethenol
CID 12600881
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814
[(Z)-[2-amino-1-(3-nitrophenyl)ethylidene]amino]thiourea;hydrobromide
CID 73355257
N-ethyl-3-nitro-N-prop-2-enylbenzamide
CID 84558938
(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine
CID 142946901
N,N'-bis[1-(3-nitrophenyl)propylideneamino]hexanediamide
CID 3943265
3-nitrobenzoyl iodide
CID 87511250
ethyl 2-(3-nitrophenyl)penta-2,4-dienoate
CID 173403161
3-nitrobenzoic acid;non-1-ene
CID 67066663
1-[(E)-1,2-difluoroethenyl]-3-nitrobenzene
CID 11788684

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine?
The IUPAC name of N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine (CID 74340886) is N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine is C=CCC(=NO)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine?
The InChIKey is UGJGHXKEOUGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-4-10(11-13)8-5-3-6-9(7-8)12(14)15/h2-3,5-7,13H,1,4H2.
What are the key properties of N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine?
N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine has a molecular weight of 206.20 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine is sourced from PubChem (CID 74340886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).