N,N-dimethyl-4-(1-nitroethenyl)aniline

C10H12N2O2 — CID 87729881

IUPACN,N-dimethyl-4-(1-nitroethenyl)aniline
SMILESC=C(c1ccc(N(C)C)cc1)[N+](=O)[O-]
InChIInChI=1S/C10H12N2O2/c1-8(12(13)14)9-4-6-10(7-5-9)11(2)3/h4-7H,1H2,2-3H3
InChIKeyGRRQGMHRIHVLII-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.00
Rot. Bonds3

About N,N-dimethyl-4-(1-nitroethenyl)aniline

N,N-dimethyl-4-(1-nitroethenyl)aniline (PubChem CID 87729881) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-nitroethenyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-nitroethenyl)aniline
PubChem CID87729881
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN,N-dimethyl-4-(1-nitroethenyl)aniline
SMILESC=C(c1ccc(N(C)C)cc1)[N+](=O)[O-]
InChIInChI=1S/C10H12N2O2/c1-8(12(13)14)9-4-6-10(7-5-9)11(2)3/h4-7H,1H2,2-3H3
InChIKeyGRRQGMHRIHVLII-UHFFFAOYSA-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'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
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CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-(1-cyclopropylethenyl)-N,N-dimethylaniline
CID 168864381
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
4-[4-(dimethylamino)phenyl]-3-nitrobenzene-1,2-diamine
CID 141048025
3',6'-bis(dimethylamino)-6-nitrocarbonylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 144895177
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
N'-[1-[4-(dimethylamino)phenyl]ethenyl]pyridine-4-carbohydrazide
CID 4694656

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-nitroethenyl)aniline?
The IUPAC name of N,N-dimethyl-4-(1-nitroethenyl)aniline (CID 87729881) is N,N-dimethyl-4-(1-nitroethenyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1-nitroethenyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1-nitroethenyl)aniline is C=C(c1ccc(N(C)C)cc1)[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-4-(1-nitroethenyl)aniline?
The InChIKey is GRRQGMHRIHVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(12(13)14)9-4-6-10(7-5-9)11(2)3/h4-7H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-4-(1-nitroethenyl)aniline?
N,N-dimethyl-4-(1-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-(1-nitroethenyl)aniline is sourced from PubChem (CID 87729881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).