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

C9H10N4O5 — CID 171042675

IUPAC(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
SMILESC/C(CO)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O5/c1-6(5-14)10-11-8-3-2-7(12(15)16)4-9(8)13(17)18/h2-4,11,14H,5H2,1H3/b10-6+
InChIKeyOKMYRYWRPTZQRR-UXBLZVDNSA-N
MW254.20 g/mol
LogP1.28
Rot. Bonds5

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

(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol (PubChem CID 171042675) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol.

Molecular Properties

Compound Name(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
PubChem CID171042675
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
SMILESC/C(CO)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O5/c1-6(5-14)10-11-8-3-2-7(12(15)16)4-9(8)13(17)18/h2-4,11,14H,5H2,1H3/b10-6+
InChIKeyOKMYRYWRPTZQRR-UXBLZVDNSA-N
XLogP1.28
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.28
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)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
N-[(E)-4-methoxybutan-2-ylideneamino]-2,4-dinitroaniline
CID 121223043
(5Z)-5-[(2,4-dinitrophenyl)hydrazinylidene]hexane-2,3-diol
CID 6045361
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
N-(2-methylpent-1-en-3-ylideneamino)-2,4-dinitroaniline
CID 131875295
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 6138465
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
N-[5,5-bis(5-methylfuran-2-yl)pentan-2-ylideneamino]-2,4-dinitroaniline
CID 3785049
(4R)-4-[(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]butyl]-5,5-dimethyloxolan-2-one
CID 177405616
N-[bis(dimethoxyphosphoryl)methylideneamino]-2,4-dinitroaniline
CID 10455130
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol?
The IUPAC name of (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol (CID 171042675) is (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol.
What is the SMILES notation for (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol?
The canonical SMILES for (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol is C/C(CO)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol?
The InChIKey is OKMYRYWRPTZQRR-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N4O5/c1-6(5-14)10-11-8-3-2-7(12(15)16)4-9(8)13(17)18/h2-4,11,14H,5H2,1H3/b10-6+.
What are the key properties of (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol?
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol has a molecular weight of 254.20 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol is sourced from PubChem (CID 171042675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).