N-methyl-N-[(E)-2-nitroethenyl]aniline

C9H10N2O2 — CID 683969

IUPACN-methyl-N-[(E)-2-nitroethenyl]aniline
SMILESCN(/C=C/[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C9H10N2O2/c1-10(7-8-11(12)13)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyRUTWDVHNQBLUFO-BQYQJAHWSA-N
MW178.19 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-N-[(E)-2-nitroethenyl]aniline

N-methyl-N-[(E)-2-nitroethenyl]aniline (PubChem CID 683969) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-methyl-N-[(E)-2-nitroethenyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-2-nitroethenyl]aniline
PubChem CID683969
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-methyl-N-[(E)-2-nitroethenyl]aniline
SMILESCN(/C=C/[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C9H10N2O2/c1-10(7-8-11(12)13)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyRUTWDVHNQBLUFO-BQYQJAHWSA-N
XLogP1.87
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-2-nitroethenyl]aniline?
The IUPAC name of N-methyl-N-[(E)-2-nitroethenyl]aniline (CID 683969) is N-methyl-N-[(E)-2-nitroethenyl]aniline.
What is the SMILES notation for N-methyl-N-[(E)-2-nitroethenyl]aniline?
The canonical SMILES for N-methyl-N-[(E)-2-nitroethenyl]aniline is CN(/C=C/[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-2-nitroethenyl]aniline?
The InChIKey is RUTWDVHNQBLUFO-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-10(7-8-11(12)13)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+.
What are the key properties of N-methyl-N-[(E)-2-nitroethenyl]aniline?
N-methyl-N-[(E)-2-nitroethenyl]aniline has a molecular weight of 178.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-2-nitroethenyl]aniline is sourced from PubChem (CID 683969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).