(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine

C10H10N2O3 — CID 142946901

IUPAC(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine
SMILESC=C/C(=N\OC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O3/c1-3-10(11-15-2)8-5-4-6-9(7-8)12(13)14/h3-7H,1H2,2H3/b11-10+
InChIKeyHWFMTVWRGVBWRQ-ZHACJKMWSA-N
MW206.20 g/mol
LogP2.13
Rot. Bonds4

About (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine

(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine (PubChem CID 142946901) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine
PubChem CID142946901
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine
SMILESC=C/C(=N\OC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N2O3/c1-3-10(11-15-2)8-5-4-6-9(7-8)12(13)14/h3-7H,1H2,2H3/b11-10+
InChIKeyHWFMTVWRGVBWRQ-ZHACJKMWSA-N
XLogP2.13
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-(3-nitrophenyl)ethenol
CID 71420085
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814
ethane;methyl 3-nitrobenzoate
CID 166455377
[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium
CID 71420084
1-(3-nitrophenyl)ethenol
CID 12600881
(NE)-N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine
CID 24874076
methyl (E)-3-methoxy-3-(3-nitrophenyl)prop-2-enoate
CID 91622412
N-[1-(3-nitrophenyl)but-3-enylidene]hydroxylamine
CID 74340886
methyl 4-(3-nitrophenyl)-4-oxobut-2-enoate
CID 165356420
methyl 3-(3-nitrophenyl)but-2-enoate
CID 123494832
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
1,3-dinitrobenzene;methyl benzoate
CID 174443884

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine?
The IUPAC name of (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine (CID 142946901) is (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine is C=C/C(=N\OC)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine?
The InChIKey is HWFMTVWRGVBWRQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-10(11-15-2)8-5-4-6-9(7-8)12(13)14/h3-7H,1H2,2H3/b11-10+.
What are the key properties of (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine?
(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine has a molecular weight of 206.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine is sourced from PubChem (CID 142946901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).