acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine

C16H16N2O5 — CID 19784525

IUPACacetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
SMILESCC(=O)O.O=[N+]([O-])c1ccccc1C/C(=N\O)c1ccccc1
InChIInChI=1S/C14H12N2O3.C2H4O2/c17-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16(18)19;1-2(3)4/h1-9,17H,10H2;1H3,(H,3,4)/b15-13+;
InChIKeyHNBCWZXLMJXKNM-GVYCEHEKSA-N
MW316.31 g/mol
LogP3.11
Rot. Bonds4

About acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine

acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine (PubChem CID 19784525) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
PubChem CID19784525
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Nameacetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
SMILESCC(=O)O.O=[N+]([O-])c1ccccc1C/C(=N\O)c1ccccc1
InChIInChI=1S/C14H12N2O3.C2H4O2/c17-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16(18)19;1-2(3)4/h1-9,17H,10H2;1H3,(H,3,4)/b15-13+;
InChIKeyHNBCWZXLMJXKNM-GVYCEHEKSA-N
XLogP3.11
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
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-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
CID 6400570
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
N-[2-(4-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 71393953
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
ethyl 2-hydroxyimino-3-(2-nitrophenyl)propanoate
CID 6786703
methyl 2-(2-nitrophenyl)acetate
CID 520464
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
[(E)-[1-(3-methylthiophen-2-yl)-2-(2-nitrophenyl)ethylidene]amino] acetate
CID 10358495
1-(3,4-dimethylphenyl)-2-(2-nitrophenyl)ethanone
CID 61055483
methanol;(2-nitrophenyl)methanol
CID 70046885

Frequently Asked Questions

What is the IUPAC name of acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine (CID 19784525) is acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine is CC(=O)O.O=[N+]([O-])c1ccccc1C/C(=N\O)c1ccccc1.
What is the InChIKey of acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine?
The InChIKey is HNBCWZXLMJXKNM-GVYCEHEKSA-N. The full InChI is InChI=1S/C14H12N2O3.C2H4O2/c17-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)16(18)19;1-2(3)4/h1-9,17H,10H2;1H3,(H,3,4)/b15-13+;.
What are the key properties of acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine?
acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine has a molecular weight of 316.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 19784525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).