4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile

C15H21N5O4Si — CID 71326273

IUPAC4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile
SMILESC[Si](C)(C)CC(C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC#N
InChIInChI=1S/C15H21N5O4Si/c1-25(2,3)11-12(5-4-8-16)10-17-18-14-7-6-13(19(21)22)9-15(14)20(23)24/h6-7,9-10,12,18H,4-5,11H2,1-3H3
InChIKeyASLGVRIHQICLBZ-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.16
Rot. Bonds9

About 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile

4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile (PubChem CID 71326273) has the molecular formula C15H21N5O4Si and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile.

Molecular Properties

Compound Name4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile
PubChem CID71326273
Molecular FormulaC15H21N5O4Si
Molecular Weight363.45 g/mol
Exact Mass363.14
IUPAC Name4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile
SMILESC[Si](C)(C)CC(C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC#N
InChIInChI=1S/C15H21N5O4Si/c1-25(2,3)11-12(5-4-8-16)10-17-18-14-7-6-13(19(21)22)9-15(14)20(23)24/h6-7,9-10,12,18H,4-5,11H2,1-3H3
InChIKeyASLGVRIHQICLBZ-UHFFFAOYSA-N
XLogP4.16
TPSA134.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-[(2S)-2-methylsulfanylpropylidene]amino]-2,4-dinitroaniline
CID 92529730
N-[[tert-butyl(dimethyl)silyl]methylideneamino]-2,4-dinitroaniline
CID 4556942
ethyl (2R,3Z)-2-chloro-3-[(2,4-dinitrophenyl)hydrazinylidene]propanoate
CID 129382287
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
2,4-dinitro-N-(penta-3,4-dienylideneamino)aniline
CID 131855224
2,4-dinitro-N-[[(E)-pent-2-enylidene]amino]aniline
CID 131874424
N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
CID 22764781
N-[(E)-[(Z)-3-methylpent-2-enylidene]amino]-2,4-dinitroaniline
CID 21233701
N-(4-methoxybut-2-ynylideneamino)-2,4-dinitroaniline
CID 3581475
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
N-[3-(benzotriazol-1-yl)butylideneamino]-2,4-dinitroaniline
CID 3802292

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile?
The IUPAC name of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile (CID 71326273) is 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile.
What is the SMILES notation for 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile?
The canonical SMILES for 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile is C[Si](C)(C)CC(C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC#N.
What is the InChIKey of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile?
The InChIKey is ASLGVRIHQICLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4Si/c1-25(2,3)11-12(5-4-8-16)10-17-18-14-7-6-13(19(21)22)9-15(14)20(23)24/h6-7,9-10,12,18H,4-5,11H2,1-3H3.
What are the key properties of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile?
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile has a molecular weight of 363.45 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-trimethylsilylpentanenitrile is sourced from PubChem (CID 71326273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).