3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one

C16H19NO2 — CID 135473451

IUPAC3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one
SMILESCCC/N=C/C1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C16H19NO2/c1-2-8-17-11-14-15(18)9-13(10-16(14)19)12-6-4-3-5-7-12/h3-7,11,13,18H,2,8-10H2,1H3/b17-11+
InChIKeyZNBVLMIFHAOQHU-GZTJUZNOSA-N
MW257.33 g/mol
LogP3.43
Rot. Bonds4

About 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one

3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one (PubChem CID 135473451) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one
PubChem CID135473451
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one
SMILESCCC/N=C/C1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C16H19NO2/c1-2-8-17-11-14-15(18)9-13(10-16(14)19)12-6-4-3-5-7-12/h3-7,11,13,18H,2,8-10H2,1H3/b17-11+
InChIKeyZNBVLMIFHAOQHU-GZTJUZNOSA-N
XLogP3.43
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one (CID 135473451) is 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one is CCC/N=C/C1=C(O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one?
The InChIKey is ZNBVLMIFHAOQHU-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-8-17-11-14-15(18)9-13(10-16(14)19)12-6-4-3-5-7-12/h3-7,11,13,18H,2,8-10H2,1H3/b17-11+.
What are the key properties of 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one?
3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-2-(propyliminomethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 135473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).