(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione

C11H11N3O4 — CID 141451524

IUPAC(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
SMILESCC(=O)CC(=O)/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N3O4/c1-8(15)6-11(16)7-12-13-9-2-4-10(5-3-9)14(17)18/h2-5,7,13H,6H2,1H3/b12-7+
InChIKeyMEVPGFDGSHFHLE-KPKJPENVSA-N
MW249.23 g/mol
LogP1.54
Rot. Bonds6

About (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione

(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione (PubChem CID 141451524) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione.

Molecular Properties

Compound Name(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
PubChem CID141451524
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
SMILESCC(=O)CC(=O)/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N3O4/c1-8(15)6-11(16)7-12-13-9-2-4-10(5-3-9)14(17)18/h2-5,7,13H,6H2,1H3/b12-7+
InChIKeyMEVPGFDGSHFHLE-KPKJPENVSA-N
XLogP1.54
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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

(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668
(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
CID 7164404
(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
CID 2774696
N-[(E)-butylideneamino]-4-nitroaniline
CID 11095804
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-nitroaniline
CID 6383941
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione?
The IUPAC name of (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione (CID 141451524) is (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione.
What is the SMILES notation for (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione?
The canonical SMILES for (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione is CC(=O)CC(=O)/C=N/Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione?
The InChIKey is MEVPGFDGSHFHLE-KPKJPENVSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-8(15)6-11(16)7-12-13-9-2-4-10(5-3-9)14(17)18/h2-5,7,13H,6H2,1H3/b12-7+.
What are the key properties of (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione?
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione is sourced from PubChem (CID 141451524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).