(3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol

C10H13NO3 — CID 143769091

IUPAC(3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol
SMILESC=C/C=C(C=C)/C=C(/C(C)O)[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-4-6-9(5-2)7-10(8(3)12)11(13)14/h4-8,12H,1-2H2,3H3/b9-6+,10-7-
InChIKeyQNNZNNKABUVJRH-FPXDHTHPSA-N
MW195.22 g/mol
LogP1.83
Rot. Bonds5

About (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol

(3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol (PubChem CID 143769091) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol
PubChem CID143769091
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol
SMILESC=C/C=C(C=C)/C=C(/C(C)O)[N+](=O)[O-]
InChIInChI=1S/C10H13NO3/c1-4-6-9(5-2)7-10(8(3)12)11(13)14/h4-8,12H,1-2H2,3H3/b9-6+,10-7-
InChIKeyQNNZNNKABUVJRH-FPXDHTHPSA-N
XLogP1.83
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol?
The IUPAC name of (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol (CID 143769091) is (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol.
What is the SMILES notation for (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol?
The canonical SMILES for (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol is C=C/C=C(C=C)/C=C(/C(C)O)[N+](=O)[O-].
What is the InChIKey of (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol?
The InChIKey is QNNZNNKABUVJRH-FPXDHTHPSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-6-9(5-2)7-10(8(3)12)11(13)14/h4-8,12H,1-2H2,3H3/b9-6+,10-7-.
What are the key properties of (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol?
(3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol has a molecular weight of 195.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-ethenyl-3-nitroocta-3,5,7-trien-2-ol is sourced from PubChem (CID 143769091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).