(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine

C9H9N3O5 — CID 5355471

IUPAC(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/O
InChIInChI=1S/C9H9N3O5/c1-6(10-13)4-7-2-3-8(11(14)15)5-9(7)12(16)17/h2-3,5,13H,4H2,1H3/b10-6-
InChIKeyMZISWTHYYSCWSH-POHAHGRESA-N
MW239.19 g/mol
LogP1.90
Rot. Bonds4

About (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine

(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine (PubChem CID 5355471) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
PubChem CID5355471
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/O
InChIInChI=1S/C9H9N3O5/c1-6(10-13)4-7-2-3-8(11(14)15)5-9(7)12(16)17/h2-3,5,13H,4H2,1H3/b10-6-
InChIKeyMZISWTHYYSCWSH-POHAHGRESA-N
XLogP1.90
TPSA118.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
1-(methylsulfanylmethyl)-2,4-dinitrobenzene
CID 20768719
(3E)-N-tert-butyl-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]butanamide
CID 46501466
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
1-(2-fluoroethyl)-2,4-dinitrobenzene
CID 14809005
2-(2,4-dinitrophenyl)acetonitrile
CID 5129344
5-(2,4-dinitrophenyl)pentan-1-ol
CID 86720802
2-(2,4-dinitrophenyl)acetic acid;ethyl 2-(2,4-dinitrophenyl)acetate
CID 173386473
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
CID 66222006
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
1-(2,4-dinitrophenyl)-4,4-dimethylpentan-3-ol
CID 66223299

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine (CID 5355471) is (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/O.
What is the InChIKey of (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is MZISWTHYYSCWSH-POHAHGRESA-N. The full InChI is InChI=1S/C9H9N3O5/c1-6(10-13)4-7-2-3-8(11(14)15)5-9(7)12(16)17/h2-3,5,13H,4H2,1H3/b10-6-.
What are the key properties of (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 239.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 5355471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).