3-ethenyl-N-ethyl-2-nitroaniline

C10H12N2O2 — CID 147627108

IUPAC3-ethenyl-N-ethyl-2-nitroaniline
SMILESC=Cc1cccc(NCC)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O2/c1-3-8-6-5-7-9(11-4-2)10(8)12(13)14/h3,5-7,11H,1,4H2,2H3
InChIKeyGEZRRLZYRFLPCZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.67
Rot. Bonds4

About 3-ethenyl-N-ethyl-2-nitroaniline

3-ethenyl-N-ethyl-2-nitroaniline (PubChem CID 147627108) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-ethenyl-N-ethyl-2-nitroaniline.

Molecular Properties

Compound Name3-ethenyl-N-ethyl-2-nitroaniline
PubChem CID147627108
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-ethenyl-N-ethyl-2-nitroaniline
SMILESC=Cc1cccc(NCC)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O2/c1-3-8-6-5-7-9(11-4-2)10(8)12(13)14/h3,5-7,11H,1,4H2,2H3
InChIKeyGEZRRLZYRFLPCZ-UHFFFAOYSA-N
XLogP2.67
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
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'}

Analyze 3-ethenyl-N-ethyl-2-nitroaniline with MolForge

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

Launch Full Analysis

Related Compounds

1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
(E)-3-[3-(ethylamino)-2-nitrophenyl]prop-2-enoic acid
CID 146314034
3-bromo-N-ethyl-2-nitroaniline
CID 119085708
1-N,3-N,3-N-triethyl-2-nitrobenzene-1,3-diamine
CID 80766771
3-but-3-enoxy-N-ethyl-2-nitroaniline
CID 80862115
1-N-ethyl-2-nitro-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 80777995
3-[[3-(ethylamino)-2-nitroanilino]methyl]pentan-3-ol
CID 80842998
1-N-ethyl-2-nitro-3-N-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diamine
CID 80790980
5-[3-(ethylamino)-2-nitroanilino]pentan-2-ol
CID 106138170
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
3-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80778166
N-ethyl-2-nitro-3-phenylsulfanylaniline
CID 80886937

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-ethyl-2-nitroaniline?
The IUPAC name of 3-ethenyl-N-ethyl-2-nitroaniline (CID 147627108) is 3-ethenyl-N-ethyl-2-nitroaniline.
What is the SMILES notation for 3-ethenyl-N-ethyl-2-nitroaniline?
The canonical SMILES for 3-ethenyl-N-ethyl-2-nitroaniline is C=Cc1cccc(NCC)c1[N+](=O)[O-].
What is the InChIKey of 3-ethenyl-N-ethyl-2-nitroaniline?
The InChIKey is GEZRRLZYRFLPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-8-6-5-7-9(11-4-2)10(8)12(13)14/h3,5-7,11H,1,4H2,2H3.
What are the key properties of 3-ethenyl-N-ethyl-2-nitroaniline?
3-ethenyl-N-ethyl-2-nitroaniline has a molecular weight of 192.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-ethyl-2-nitroaniline is sourced from PubChem (CID 147627108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).