3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one

C115H142N8O10 — CID 157184845

About 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one

3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 157184845) has the molecular formula C115H142N8O10 and a molecular weight of 1796.45 g/mol. Its IUPAC name is 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 157184845
• Molecular Formula: C115H142N8O10
• Molecular Weight: 1796.45 g/mol
• Exact Mass: 1795.08
• IUPAC Name: 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
• SMILES: CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)CC(=O)NC2.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)CNC2=O
• InChI: InChI=1S/C13H17NO.3C12H15NO.C12H16.2C11H13NO.C11H15N.C11H12O2.C10H11NO2/c1-8(2)9-5-6-11-10(7-9)13(3,4)12(15)14-11;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-10-7-13-12(14)6-11(10)5-9;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h5-8H,1-4H3,(H,14,15);3,5,7-8H,4,6H2,1-2H3,(H,13,14);2*3-5,8H,6-7H2,1-2H3,(H,13,14);6-9H,3-5H2,1-2H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,7-8,12H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,11,12)
• InChIKey: AOZPDNUBUMCBTG-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 258.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1796.45
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one (CID 157184845) is 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one is CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)CC(=O)NC2.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)CNC2=O.

What is the InChIKey of 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is AOZPDNUBUMCBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.3C12H15NO.C12H16.2C11H13NO.C11H15N.C11H12O2.C10H11NO2/c1-8(2)9-5-6-11-10(7-9)13(3,4)12(15)14-11;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-10-7-13-12(14)6-11(10)5-9;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h5-8H,1-4H3,(H,14,15);3,5,7-8H,4,6H2,1-2H3,(H,13,14);2*3-5,8H,6-7H2,1-2H3,(H,13,14);6-9H,3-5H2,1-2H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-4,7-8,12H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,11,12).

What are the key properties of 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 1796.45 g/mol, XLogP of 24.40, 10 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 157184845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).