4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one

C21H22N2O2 — CID 136502339

IUPAC4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1/C(=N\C1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/c24-18-13-22-21(25)19(18)20(23-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15,24H,1-3,9-10,13H2,(H,22,25)/b23-20-
InChIKeyOVEVJHJLOIILSY-ATJXCDBQSA-N
MW334.42 g/mol
LogP3.90
Rot. Bonds3

About 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one

4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 136502339) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID136502339
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(O)=C1/C(=N\C1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C21H22N2O2/c24-18-13-22-21(25)19(18)20(23-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15,24H,1-3,9-10,13H2,(H,22,25)/b23-20-
InChIKeyOVEVJHJLOIILSY-ATJXCDBQSA-N
XLogP3.90
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one 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 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one (CID 136502339) is 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one is O=C1NCC(O)=C1/C(=N\C1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is OVEVJHJLOIILSY-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-18-13-22-21(25)19(18)20(23-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15,24H,1-3,9-10,13H2,(H,22,25)/b23-20-.
What are the key properties of 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one?
4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 334.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-cyclohexyl-C-naphthalen-1-ylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 136502339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).