2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione

C17H21NO3 — CID 65121463

IUPAC2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC1(O)CCCC(C)C1)C2=O
InChIInChI=1S/C17H21NO3/c1-11-5-6-13-14(8-11)16(20)18(15(13)19)10-17(21)7-3-4-12(2)9-17/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3
InChIKeyCSJCURGWRWYAQD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds2

About 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione

2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione (PubChem CID 65121463) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione
PubChem CID65121463
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC1(O)CCCC(C)C1)C2=O
InChIInChI=1S/C17H21NO3/c1-11-5-6-13-14(8-11)16(20)18(15(13)19)10-17(21)7-3-4-12(2)9-17/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3
InChIKeyCSJCURGWRWYAQD-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione 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 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione (CID 65121463) is 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC1(O)CCCC(C)C1)C2=O.
What is the InChIKey of 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione?
The InChIKey is CSJCURGWRWYAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-6-13-14(8-11)16(20)18(15(13)19)10-17(21)7-3-4-12(2)9-17/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione?
2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione has a molecular weight of 287.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 65121463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).