2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate

C10H9N4O6- — CID 57371508

IUPAC2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate
SMILESCC(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]
InChIInChI=1S/C10H10N4O6/c1-6(10(15)16)12-11-5-7-2-3-8(13(17)18)4-9(7)14(19)20/h2-6,12H,1H3,(H,15,16)/p-1
InChIKeyDQONLLXVLLAKOB-UHFFFAOYSA-M
MW281.20 g/mol
LogP-0.44
Rot. Bonds6

About 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate

2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate (PubChem CID 57371508) has the molecular formula C10H9N4O6- and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate.

Molecular Properties

Compound Name2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate
PubChem CID57371508
Molecular FormulaC10H9N4O6-
Molecular Weight281.20 g/mol
Exact Mass281.05
IUPAC Name2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate
SMILESCC(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]
InChIInChI=1S/C10H10N4O6/c1-6(10(15)16)12-11-5-7-2-3-8(13(17)18)4-9(7)14(19)20/h2-6,12H,1H3,(H,15,16)/p-1
InChIKeyDQONLLXVLLAKOB-UHFFFAOYSA-M
XLogP-0.44
TPSA150.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126004226
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 5072788
(2S)-N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135877850
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135830802
(2S)-2-(4-bromoanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 137207087
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate?
The IUPAC name of 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate (CID 57371508) is 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate.
What is the SMILES notation for 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate?
The canonical SMILES for 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate is CC(NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-].
What is the InChIKey of 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate?
The InChIKey is DQONLLXVLLAKOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N4O6/c1-6(10(15)16)12-11-5-7-2-3-8(13(17)18)4-9(7)14(19)20/h2-6,12H,1H3,(H,15,16)/p-1.
What are the key properties of 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate?
2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate has a molecular weight of 281.20 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dinitrophenyl)methylidene]hydrazinyl]propanoate is sourced from PubChem (CID 57371508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).