(E,2R)-1-nitro-4-phenylbut-3-en-2-ol

C10H11NO3 — CID 11367546

IUPAC(E,2R)-1-nitro-4-phenylbut-3-en-2-ol
SMILESO=[N+]([O-])C[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+/t10-/m1/s1
InChIKeyZLINUKQYKGAIRD-VQCYPWCPSA-N
MW193.20 g/mol
LogP1.34
Rot. Bonds4

About (E,2R)-1-nitro-4-phenylbut-3-en-2-ol

(E,2R)-1-nitro-4-phenylbut-3-en-2-ol (PubChem CID 11367546) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (E,2R)-1-nitro-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-nitro-4-phenylbut-3-en-2-ol
PubChem CID11367546
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(E,2R)-1-nitro-4-phenylbut-3-en-2-ol
SMILESO=[N+]([O-])C[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C10H11NO3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+/t10-/m1/s1
InChIKeyZLINUKQYKGAIRD-VQCYPWCPSA-N
XLogP1.34
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.34
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'}

Analyze (E,2R)-1-nitro-4-phenylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-nitro-4-phenylbut-3-en-2-ol?
The IUPAC name of (E,2R)-1-nitro-4-phenylbut-3-en-2-ol (CID 11367546) is (E,2R)-1-nitro-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E,2R)-1-nitro-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E,2R)-1-nitro-4-phenylbut-3-en-2-ol is O=[N+]([O-])C[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2R)-1-nitro-4-phenylbut-3-en-2-ol?
The InChIKey is ZLINUKQYKGAIRD-VQCYPWCPSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8H2/b7-6+/t10-/m1/s1.
What are the key properties of (E,2R)-1-nitro-4-phenylbut-3-en-2-ol?
(E,2R)-1-nitro-4-phenylbut-3-en-2-ol has a molecular weight of 193.20 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-nitro-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 11367546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).