4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one

C17H20N2O2 — CID 135478444

IUPAC4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1/C=N/c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O2/c20-16-11-19-17(21)15(16)10-18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-10,12,20H,1-5,11H2,(H,19,21)/b18-10+
InChIKeyRCTKXHLJFNKHFY-VCHYOVAHSA-N
MW284.36 g/mol
LogP3.38
Rot. Bonds3

About 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one

4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 135478444) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID135478444
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1/C=N/c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O2/c20-16-11-19-17(21)15(16)10-18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-10,12,20H,1-5,11H2,(H,19,21)/b18-10+
InChIKeyRCTKXHLJFNKHFY-VCHYOVAHSA-N
XLogP3.38
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
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 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one (CID 135478444) is 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one is O=C1NCC(O)=C1/C=N/c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is RCTKXHLJFNKHFY-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-11-19-17(21)15(16)10-18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-10,12,20H,1-5,11H2,(H,19,21)/b18-10+.
What are the key properties of 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one?
4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 284.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylphenyl)iminomethyl]-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135478444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).