4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione

C18H23N5O7 — CID 131855140

IUPAC4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C18H23N5O7/c1-10(18(2,3)15(24)6-11-7-16(25)19-17(26)8-11)20-21-13-5-4-12(22(27)28)9-14(13)23(29)30/h4-5,9,11,15,21,24H,6-8H2,1-3H3,(H,19,25,26)
InChIKeyFWIOSYNFJHMUIC-UHFFFAOYSA-N
MW421.41 g/mol
LogP2.12
Rot. Bonds8

About 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione

4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione (PubChem CID 131855140) has the molecular formula C18H23N5O7 and a molecular weight of 421.41 g/mol. Its IUPAC name is 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione
PubChem CID131855140
Molecular FormulaC18H23N5O7
Molecular Weight421.41 g/mol
Exact Mass421.16
IUPAC Name4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C18H23N5O7/c1-10(18(2,3)15(24)6-11-7-16(25)19-17(26)8-11)20-21-13-5-4-12(22(27)28)9-14(13)23(29)30/h4-5,9,11,15,21,24H,6-8H2,1-3H3,(H,19,25,26)
InChIKeyFWIOSYNFJHMUIC-UHFFFAOYSA-N
XLogP2.12
TPSA177.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
(4R)-4-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]butyl]-5,5-dimethyloxolan-2-one
CID 177405616
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]hexane-2,3-diol
CID 6045361
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol
CID 7348549
methyl (2R,5E)-5-[(2,4-dinitrophenyl)hydrazinylidene]-2-methyl-2-propan-2-ylhexanoate
CID 177458536
N-(2-methylpent-1-en-3-ylideneamino)-2,4-dinitroaniline
CID 131875295
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
(2R,3S,4Z,5E)-4,5-bis[(2,4-dinitrophenyl)hydrazinylidene]pentane-1,2,3-triol
CID 98513666
2-[(Z)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135965768
N-[bis(dimethoxyphosphoryl)methylideneamino]-2,4-dinitroaniline
CID 10455130

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione?
The IUPAC name of 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione (CID 131855140) is 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione?
The canonical SMILES for 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione is CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(O)CC1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione?
The InChIKey is FWIOSYNFJHMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O7/c1-10(18(2,3)15(24)6-11-7-16(25)19-17(26)8-11)20-21-13-5-4-12(22(27)28)9-14(13)23(29)30/h4-5,9,11,15,21,24H,6-8H2,1-3H3,(H,19,25,26).
What are the key properties of 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione?
4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione has a molecular weight of 421.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-dinitrophenyl)hydrazinylidene]-2-hydroxy-3,3-dimethylpentyl]piperidine-2,6-dione is sourced from PubChem (CID 131855140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).