2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C164H213N5O6 — CID 159289156

About 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159289156) has the molecular formula C164H213N5O6 and a molecular weight of 2350.54 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 159289156
• Molecular Formula: C164H213N5O6
• Molecular Weight: 2350.54 g/mol
• Exact Mass: 2348.65
• IUPAC Name: 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• SMILES: CC(C)c1ccc2c(c1)C(=O)CCCO2.CC(C)c1ccc2c(c1)CC=CC2.CC(C)c1ccc2c(c1)CCC=C2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1cccc2c1CC=CC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCC=C2.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1NCCO2.CCN1Cc2c(cccc2C(C)C)C1=O.CCN1Cc2ccc(C(C)C)cc2C1=O
• InChI: InChI=1S/2C13H17NO.C13H16O2.C13H18.2C13H16.C13H18.2C13H16.2C12H17N.C12H14O.C11H15NO/c1-4-14-8-11-6-5-10(9(2)3)7-12(11)13(14)15;1-4-14-8-12-10(9(2)3)6-5-7-11(12)13(14)15;1-9(2)10-5-6-13-11(8-10)12(14)4-3-7-15-13;3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)9-4-3-5-10-11(9)12-6-7-13-10/h2*5-7,9H,4,8H2,1-3H3;5-6,8-9H,3-4,7H2,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-5,7,9-10H,6,8H2,1-2H3;7-10H,3-6H2,1-2H3;3,5,7-10H,4,6H2,1-2H3;3-4,7-10H,5-6H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3
• InChIKey: KZWSYKGSEFAMOJ-UHFFFAOYSA-N
• XLogP: 41.05
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2350.54
LogP ≤ 5	41.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 159289156) is 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)c1ccc2c(c1)C(=O)CCCO2.CC(C)c1ccc2c(c1)CC=CC2.CC(C)c1ccc2c(c1)CCC=C2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1cccc2c1CC=CC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCC=C2.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cccc2c1NCCO2.CCN1Cc2c(cccc2C(C)C)C1=O.CCN1Cc2ccc(C(C)C)cc2C1=O.

What is the InChIKey of 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is KZWSYKGSEFAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.C13H16O2.C13H18.2C13H16.C13H18.2C13H16.2C12H17N.C12H14O.C11H15NO/c1-4-14-8-11-6-5-10(9(2)3)7-12(11)13(14)15;1-4-14-8-12-10(9(2)3)6-5-7-11(12)13(14)15;1-9(2)10-5-6-13-11(8-10)12(14)4-3-7-15-13;3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-8(2)9-4-3-5-10-11(9)12-6-7-13-10/h2*5-7,9H,4,8H2,1-3H3;5-6,8-9H,3-4,7H2,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;3,5-7,9-10H,4,8H2,1-2H3;3-5,7,9-10H,6,8H2,1-2H3;7-10H,3-6H2,1-2H3;3,5,7-10H,4,6H2,1-2H3;3-4,7-10H,5-6H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-5,8,12H,6-7H2,1-2H3.

What are the key properties of 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?

2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2350.54 g/mol, XLogP of 41.05, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-propan-2-yl-3H-isoindol-1-one;2-ethyl-6-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;4-propan-2-yl-2,3-dihydroinden-1-one;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159289156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).