(E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine

C11H12N2O3 — CID 176908659

IUPAC(E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine
SMILESC=CCO/N=C(\C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O3/c1-3-8-16-12-9(2)10-6-4-5-7-11(10)13(14)15/h3-7H,1,8H2,2H3/b12-9+
InChIKeyNAFZJIHNOYZPBS-FMIVXFBMSA-N
MW220.23 g/mol
LogP2.52
Rot. Bonds5

About (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine

(E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine (PubChem CID 176908659) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine
PubChem CID176908659
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine
SMILESC=CCO/N=C(\C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O3/c1-3-8-16-12-9(2)10-6-4-5-7-11(10)13(14)15/h3-7H,1,8H2,2H3/b12-9+
InChIKeyNAFZJIHNOYZPBS-FMIVXFBMSA-N
XLogP2.52
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
1-(3-nitro-2-prop-2-enoxyphenyl)ethanone
CID 71490496
but-3-enyl 2-nitrobenzoate
CID 118039661
prop-2-enyl 2-methyl-3-nitrobenzoate
CID 54493532
2-nitro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576885
prop-2-enyl 2-(2-nitrophenyl)propanoate
CID 101449684
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene
CID 22352871
[2-(2-nitrophenyl)-2-oxoethyl] nitrate
CID 71676932
diaminomethylidene-(propan-2-ylideneamino)azanium;2-nitrobenzoate
CID 139059884
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
1-(2-nitrophenyl)pentane-1,4-dione
CID 43608280

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine?
The IUPAC name of (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine (CID 176908659) is (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine.
What is the SMILES notation for (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine?
The canonical SMILES for (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine is C=CCO/N=C(\C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine?
The InChIKey is NAFZJIHNOYZPBS-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-8-16-12-9(2)10-6-4-5-7-11(10)13(14)15/h3-7H,1,8H2,2H3/b12-9+.
What are the key properties of (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine?
(E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine has a molecular weight of 220.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-nitrophenyl)-N-prop-2-enoxyethanimine is sourced from PubChem (CID 176908659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).