(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide

C12H15NO2 — CID 15805805

IUPAC(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide
SMILESC/C(O)=C/C(C)/C=[N+](\[O-])c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(8-11(2)14)9-13(15)12-6-4-3-5-7-12/h3-10,14H,1-2H3/b11-8-,13-9-
InChIKeyOYVWGSNJHQYCIO-PHRMNRNWSA-N
MW205.26 g/mol
LogP3.00
Rot. Bonds3

About (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide

(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide (PubChem CID 15805805) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide.

Molecular Properties

Compound Name(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide
PubChem CID15805805
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide
SMILESC/C(O)=C/C(C)/C=[N+](\[O-])c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(8-11(2)14)9-13(15)12-6-4-3-5-7-12/h3-10,14H,1-2H3/b11-8-,13-9-
InChIKeyOYVWGSNJHQYCIO-PHRMNRNWSA-N
XLogP3.00
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide?
The IUPAC name of (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide (CID 15805805) is (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide.
What is the SMILES notation for (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide?
The canonical SMILES for (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide is C/C(O)=C/C(C)/C=[N+](\[O-])c1ccccc1.
What is the InChIKey of (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide?
The InChIKey is OYVWGSNJHQYCIO-PHRMNRNWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(8-11(2)14)9-13(15)12-6-4-3-5-7-12/h3-10,14H,1-2H3/b11-8-,13-9-.
What are the key properties of (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide?
(Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide has a molecular weight of 205.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-2-methyl-N-phenylpent-3-en-1-imine oxide is sourced from PubChem (CID 15805805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).