5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one

C11H11N3O3 — CID 131887668

IUPAC5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
SMILESCC(=O)C=CC=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N3O3/c1-9(15)3-2-8-12-13-10-4-6-11(7-5-10)14(16)17/h2-8,13H,1H3
InChIKeyFBLFMZXFBQDLFR-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.14
Rot. Bonds5

About 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one

5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one (PubChem CID 131887668) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one.

Molecular Properties

Compound Name5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
PubChem CID131887668
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
SMILESCC(=O)C=CC=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N3O3/c1-9(15)3-2-8-12-13-10-4-6-11(7-5-10)14(16)17/h2-8,13H,1H3
InChIKeyFBLFMZXFBQDLFR-UHFFFAOYSA-N
XLogP2.14
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-nitroaniline
CID 6383941
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
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
CID 7164404

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one?
The IUPAC name of 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one (CID 131887668) is 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one.
What is the SMILES notation for 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one?
The canonical SMILES for 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one is CC(=O)C=CC=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one?
The InChIKey is FBLFMZXFBQDLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-9(15)3-2-8-12-13-10-4-6-11(7-5-10)14(16)17/h2-8,13H,1H3.
What are the key properties of 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one?
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one is sourced from PubChem (CID 131887668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).