(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol

C12H14N4O5 — CID 6298435

IUPAC(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(N/N=C2/CCCCC2O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N4O5/c17-12-4-2-1-3-10(12)14-13-9-6-5-8(15(18)19)7-11(9)16(20)21/h5-7,12-13,17H,1-4H2/b14-10-
InChIKeyAHTOXSVDHJDAOC-UVTDQMKNSA-N
MW294.27 g/mol
LogP2.21
Rot. Bonds4

About (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol

(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol (PubChem CID 6298435) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol
PubChem CID6298435
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(N/N=C2/CCCCC2O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N4O5/c17-12-4-2-1-3-10(12)14-13-9-6-5-8(15(18)19)7-11(9)16(20)21/h5-7,12-13,17H,1-4H2/b14-10-
InChIKeyAHTOXSVDHJDAOC-UVTDQMKNSA-N
XLogP2.21
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.21
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-[(E)-[(2S)-2-ethylcyclohexylidene]amino]-2,4-dinitroaniline
CID 98513137
N-[(E)-[(2R)-2-ethylcyclohexylidene]amino]-2,4-dinitroaniline
CID 98513136
N-[(Z)-(2-ethylcyclohexylidene)amino]-2,4-dinitroaniline
CID 6508750
2-[2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexyl]sulfanylacetic acid
CID 6610708
N-[(E)-[(1S,6R)-2-bicyclo[4.1.0]heptanylidene]amino]-2,4-dinitroaniline
CID 11898626
N-(2,3,4a,4b,5,6,7,8,10,10a-decahydro-1H-phenanthren-4-ylideneamino)-2,4-dinitroaniline
CID 3089059
N-[(E)-[(2R)-2-(4-methylphenyl)sulfonylcyclohexylidene]amino]-2,4-dinitroaniline
CID 98528154
N-[[7-[(2,4-dinitrophenyl)hydrazinylidene]-6-bicyclo[10.2.2]hexadeca-1(14),12,15-trienylidene]amino]-2,4-dinitroaniline
CID 6834381
N-[(2,6-dimethylcyclohexylidene)amino]-2,4-dinitroaniline
CID 51056576
2,4-dinitro-N-[(Z)-3-oxabicyclo[5.1.0]octan-6-ylideneamino]aniline
CID 90481939
2,4-dinitro-N-[(E)-[(8S)-5,5,8-trimethyl-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ylidene]amino]aniline
CID 20845766
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
CID 14950104

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol?
The IUPAC name of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol (CID 6298435) is (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol.
What is the SMILES notation for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol?
The canonical SMILES for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol is O=[N+]([O-])c1ccc(N/N=C2/CCCCC2O)c([N+](=O)[O-])c1.
What is the InChIKey of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol?
The InChIKey is AHTOXSVDHJDAOC-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H14N4O5/c17-12-4-2-1-3-10(12)14-13-9-6-5-8(15(18)19)7-11(9)16(20)21/h5-7,12-13,17H,1-4H2/b14-10-.
What are the key properties of (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol?
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol has a molecular weight of 294.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]cyclohexan-1-ol is sourced from PubChem (CID 6298435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).