2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one

C23H28N2O2 — CID 165015366

IUPAC2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1ccc2c(c1)CN(C)C2=O.CC(C)c1ccc2c(c1)CNC2=O
InChIInChI=1S/C12H15NO.C11H13NO/c1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13/h4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyKIHPJHRRQRDEKK-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.45
Rot. Bonds2

About 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one

2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one (PubChem CID 165015366) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one
PubChem CID165015366
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1ccc2c(c1)CN(C)C2=O.CC(C)c1ccc2c(c1)CNC2=O
InChIInChI=1S/C12H15NO.C11H13NO/c1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13/h4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyKIHPJHRRQRDEKK-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-5-propan-2-yl-3H-isoindol-1-one;piperidine-2,6-dione
CID 156711933
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
CID 84721920
5-[1,2-dihydroxy-3-(methylamino)propyl]-2,3-dihydroisoindol-1-one
CID 171858178
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
2,6-dimethyl-5-propan-2-yl-3H-isoindol-1-one
CID 163943326
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 153301418
5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one
CID 89390221
6-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717751
2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 171660016
6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 142314640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one (CID 165015366) is 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one is CC(C)c1ccc2c(c1)CN(C)C2=O.CC(C)c1ccc2c(c1)CNC2=O.
What is the InChIKey of 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one?
The InChIKey is KIHPJHRRQRDEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C11H13NO/c1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13/h4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one?
2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one has a molecular weight of 364.49 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 165015366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).