1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

C21H28N2O3 — CID 58537934

IUPAC1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1C)C(=O)N2C1CC1
InChIInChI=1S/C21H28N2O3/c1-13-11-14(2)17(15(3)12-13)18-19(24)21(7-9-22(26-4)10-8-21)23(20(18)25)16-5-6-16/h11-12,16,24H,5-10H2,1-4H3
InChIKeyRYWGSEDVCWPAHB-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.28
Rot. Bonds3

About 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58537934) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58537934
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1C)C(=O)N2C1CC1
InChIInChI=1S/C21H28N2O3/c1-13-11-14(2)17(15(3)12-13)18-19(24)21(7-9-22(26-4)10-8-21)23(20(18)25)16-5-6-16/h11-12,16,24H,5-10H2,1-4H3
InChIKeyRYWGSEDVCWPAHB-UHFFFAOYSA-N
XLogP3.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-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 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 58537934) is 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1C)C(=O)N2C1CC1.
What is the InChIKey of 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is RYWGSEDVCWPAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13-11-14(2)17(15(3)12-13)18-19(24)21(7-9-22(26-4)10-8-21)23(20(18)25)16-5-6-16/h11-12,16,24H,5-10H2,1-4H3.
What are the key properties of 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58537934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).