4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline

C16H15N3O4 — CID 92907800

IUPAC4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O4/c1-17(2)14-8-4-12(5-9-14)3-6-13-7-10-15(18(20)21)11-16(13)19(22)23/h3-11H,1-2H3/b6-3-
InChIKeyFUQVXPNRYJFXSG-UTCJRWHESA-N
MW313.31 g/mol
LogP3.74
Rot. Bonds5

About 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline

4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 92907800) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID92907800
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O4/c1-17(2)14-8-4-12(5-9-14)3-6-13-7-10-15(18(20)21)11-16(13)19(22)23/h3-11H,1-2H3/b6-3-
InChIKeyFUQVXPNRYJFXSG-UTCJRWHESA-N
XLogP3.74
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,4-dinitrophenyl]ethenyl]-N,N-dimethylaniline
CID 6178371
4-[2-(2-iodo-4-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 72530912
4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 73186903
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-nitrobenzoic acid
CID 639936
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
cesium 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-nitrobenzoate
CID 101000905
2-[4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-N-methylanilino]ethyl 2-methylprop-2-enoate
CID 102404567
4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline
CID 46918435
2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
CID 122232545
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
2-[2-(2,4-dinitrophenyl)ethenyl]anthracene-9,10-dione
CID 2749492
(1E,6E)-1-[4-(dimethylamino)-2-nitrophenyl]-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 67107688

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline (CID 92907800) is 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is FUQVXPNRYJFXSG-UTCJRWHESA-N. The full InChI is InChI=1S/C16H15N3O4/c1-17(2)14-8-4-12(5-9-14)3-6-13-7-10-15(18(20)21)11-16(13)19(22)23/h3-11H,1-2H3/b6-3-.
What are the key properties of 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline?
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 313.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 92907800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).