N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline

C10H12N2O2 — CID 774089

IUPACN,N-dimethyl-4-[(E)-2-nitroethenyl]aniline
SMILESCN(C)c1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3/b8-7+
InChIKeyRIXCESCQOUSSJX-BQYQJAHWSA-N
MW192.22 g/mol
LogP2.00
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline

N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline (PubChem CID 774089) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-nitroethenyl]aniline
PubChem CID774089
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN,N-dimethyl-4-[(E)-2-nitroethenyl]aniline
SMILESCN(C)c1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3/b8-7+
InChIKeyRIXCESCQOUSSJX-BQYQJAHWSA-N
XLogP2.00
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline (CID 774089) is N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline is CN(C)c1ccc(/C=C/[N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline?
The InChIKey is RIXCESCQOUSSJX-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3/b8-7+.
What are the key properties of N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline?
N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline has a molecular weight of 192.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-nitroethenyl]aniline is sourced from PubChem (CID 774089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).