N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine

C8H8N2O4 — CID 172625763

IUPACN-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O4/c1-14-8-3-6(5-9-11)2-7(4-8)10(12)13/h2-5,11H,1H3
InChIKeyGVQRFJGYGQFQRX-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.41
Rot. Bonds3

About N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine

N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine (PubChem CID 172625763) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine
PubChem CID172625763
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC NameN-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O4/c1-14-8-3-6(5-9-11)2-7(4-8)10(12)13/h2-5,11H,1H3
InChIKeyGVQRFJGYGQFQRX-UHFFFAOYSA-N
XLogP1.41
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.41
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

4-(3-methoxy-5-nitrophenyl)but-3-enoic acid
CID 170484219
N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
CID 163231352
1-(4-chlorobut-1-enyl)-3-methoxy-5-nitrobenzene
CID 170499806
3-methoxy-N,N-dimethyl-5-nitrobenzamide
CID 59352996
1-iodo-3,5-dinitrobenzene;1-iodo-3-methoxy-5-nitrobenzene
CID 162138503
(4-nitrophenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 43013492
ethyl 2-(3-methoxy-5-nitrophenyl)acetate
CID 134640478
chloro 3-methoxy-5-nitrobenzoate
CID 140756231
3-(3-methoxy-5-nitrophenoxy)propan-1-ol
CID 178030483
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
CID 56694143
(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine (CID 172625763) is N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine is COc1cc(C=NO)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is GVQRFJGYGQFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-14-8-3-6(5-9-11)2-7(4-8)10(12)13/h2-5,11H,1H3.
What are the key properties of N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine?
N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 196.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 172625763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).