(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid

C11H9NO4 — CID 92533335

IUPAC(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid
SMILESO=C(O)/C=C\C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9NO4/c13-11(14)8-4-2-6-9-5-1-3-7-10(9)12(15)16/h1-8H,(H,13,14)/b6-2-,8-4-
InChIKeyIJXZQTLMGOOIAI-UIOOTCRHSA-N
MW219.20 g/mol
LogP2.25
Rot. Bonds4

About (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid

(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid (PubChem CID 92533335) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid
PubChem CID92533335
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid
SMILESO=C(O)/C=C\C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9NO4/c13-11(14)8-4-2-6-9-5-1-3-7-10(9)12(15)16/h1-8H,(H,13,14)/b6-2-,8-4-
InChIKeyIJXZQTLMGOOIAI-UIOOTCRHSA-N
XLogP2.25
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415
(2E,4E)-1-(2,5-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dien-1-one
CID 53376756
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
3-(2-hydroxy-3-nitrophenyl)prop-2-enoic acid
CID 53401649
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
CID 5077888
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2543840
(2E)-2-[(2-nitrophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 6477117
tert-butyl (Z)-3-(2-nitrophenyl)prop-2-enoate
CID 97303826

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid?
The IUPAC name of (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid (CID 92533335) is (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid is O=C(O)/C=C\C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid?
The InChIKey is IJXZQTLMGOOIAI-UIOOTCRHSA-N. The full InChI is InChI=1S/C11H9NO4/c13-11(14)8-4-2-6-9-5-1-3-7-10(9)12(15)16/h1-8H,(H,13,14)/b6-2-,8-4-.
What are the key properties of (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid?
(2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid has a molecular weight of 219.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(2-nitrophenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 92533335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).