2-nitro-5-phenylpenta-2,4-dien-1-ol

C11H11NO3 — CID 54480286

IUPAC2-nitro-5-phenylpenta-2,4-dien-1-ol
SMILESO=[N+]([O-])C(=CC=Cc1ccccc1)CO
InChIInChI=1S/C11H11NO3/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeyXOMWZSWSNMUXFO-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.85
Rot. Bonds4

About 2-nitro-5-phenylpenta-2,4-dien-1-ol

2-nitro-5-phenylpenta-2,4-dien-1-ol (PubChem CID 54480286) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-nitro-5-phenylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2-nitro-5-phenylpenta-2,4-dien-1-ol
PubChem CID54480286
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-nitro-5-phenylpenta-2,4-dien-1-ol
SMILESO=[N+]([O-])C(=CC=Cc1ccccc1)CO
InChIInChI=1S/C11H11NO3/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeyXOMWZSWSNMUXFO-UHFFFAOYSA-N
XLogP1.85
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.85
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 2-nitro-5-phenylpenta-2,4-dien-1-ol?
The IUPAC name of 2-nitro-5-phenylpenta-2,4-dien-1-ol (CID 54480286) is 2-nitro-5-phenylpenta-2,4-dien-1-ol.
What is the SMILES notation for 2-nitro-5-phenylpenta-2,4-dien-1-ol?
The canonical SMILES for 2-nitro-5-phenylpenta-2,4-dien-1-ol is O=[N+]([O-])C(=CC=Cc1ccccc1)CO.
What is the InChIKey of 2-nitro-5-phenylpenta-2,4-dien-1-ol?
The InChIKey is XOMWZSWSNMUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8,13H,9H2.
What are the key properties of 2-nitro-5-phenylpenta-2,4-dien-1-ol?
2-nitro-5-phenylpenta-2,4-dien-1-ol has a molecular weight of 205.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-phenylpenta-2,4-dien-1-ol is sourced from PubChem (CID 54480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).