5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one

C68H82N4O8 — CID 159699527

About 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one

5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 159699527) has the molecular formula C68H82N4O8 and a molecular weight of 1083.42 g/mol. Its IUPAC name is 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 159699527
• Molecular Formula: C68H82N4O8
• Molecular Weight: 1083.42 g/mol
• Exact Mass: 1082.61
• IUPAC Name: 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-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)NCC2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1cccc2c1OCCC2
• InChI: InChI=1S/2C12H15NO.C12H16O.C11H13NO.C11H12O2.C10H11NO2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;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/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3,5,7,9H,4,6,8H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,11,12)
• InChIKey: MXLDJCFIFKKMDT-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 168.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.42
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one (CID 159699527) is 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-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)NCC2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1cccc2c1OCCC2.

What is the InChIKey of 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is MXLDJCFIFKKMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15NO.C12H16O.C11H13NO.C11H12O2.C10H11NO2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;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/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3,5,7,9H,4,6,8H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3;3-6H,1-2H3,(H,11,12).

What are the key properties of 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?

5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 1083.42 g/mol, XLogP of 14.75, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 159699527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).