(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol

C19H24N4O5 — CID 7348549

IUPAC(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol
SMILESC[C@@H](O)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N4O5/c1-11(24)18(19-8-12-4-13(9-19)6-14(5-12)10-19)21-20-16-3-2-15(22(25)26)7-17(16)23(27)28/h2-3,7,11-14,20,24H,4-6,8-10H2,1H3/b21-18-/t11-,12?,13?,14?,19?/m1/s1
InChIKeyKMWXIIWFMDAZKT-ULWKNBEFSA-N
MW388.42 g/mol
LogP3.87
Rot. Bonds6

About (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol

(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol (PubChem CID 7348549) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol.

Molecular Properties

Compound Name(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol
PubChem CID7348549
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol
SMILESC[C@@H](O)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N4O5/c1-11(24)18(19-8-12-4-13(9-19)6-14(5-12)10-19)21-20-16-3-2-15(22(25)26)7-17(16)23(27)28/h2-3,7,11-14,20,24H,4-6,8-10H2,1H3/b21-18-/t11-,12?,13?,14?,19?/m1/s1
InChIKeyKMWXIIWFMDAZKT-ULWKNBEFSA-N
XLogP3.87
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2,4-dinitroaniline
CID 7325101
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]hexane-2,3-diol
CID 6045361
(3S,5S)-4-[(2,4-dinitrophenyl)hydrazinylidene]adamantan-1-ol
CID 7722150
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylacetate
CID 94196506
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-methylpentanoic acid
CID 14777756
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-[bis(dimethoxyphosphoryl)methylideneamino]-2,4-dinitroaniline
CID 10455130
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
2,4-dinitro-N-[1-(4-propan-2-ylphenyl)propylideneamino]aniline
CID 4218707

Frequently Asked Questions

What is the IUPAC name of (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol?
The IUPAC name of (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol (CID 7348549) is (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol.
What is the SMILES notation for (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol?
The canonical SMILES for (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol is C[C@@H](O)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol?
The InChIKey is KMWXIIWFMDAZKT-ULWKNBEFSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11(24)18(19-8-12-4-13(9-19)6-14(5-12)10-19)21-20-16-3-2-15(22(25)26)7-17(16)23(27)28/h2-3,7,11-14,20,24H,4-6,8-10H2,1H3/b21-18-/t11-,12?,13?,14?,19?/m1/s1.
What are the key properties of (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol?
(1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol has a molecular weight of 388.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2R)-1-(1-adamantyl)-1-[(2,4-dinitrophenyl)hydrazinylidene]propan-2-ol is sourced from PubChem (CID 7348549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).