1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one

C82H85N9O5 — CID 157129003

About 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one

1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one (PubChem CID 157129003) has the molecular formula C82H85N9O5 and a molecular weight of 1276.64 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one.

Molecular Properties

• Compound Name: 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one
• PubChem CID: 157129003
• Molecular Formula: C82H85N9O5
• Molecular Weight: 1276.64 g/mol
• Exact Mass: 1275.67
• IUPAC Name: 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one
• SMILES: CN1C(=O)CC2C=CC=CC21.CN1C(=O)CCc2ccccc21.CN1CCCc2ccccc21.Cc1cccc2ccccc12.Cc1ccccn1.Cc1nccc2ccccc12.Cc1ncn2ccccc12.Cn1c(=O)ccc2ccccc21.Cn1c(=O)oc2ccccc21
• InChI: InChI=1S/C11H10.C10H11NO.C10H9NO.C10H13N.C10H9N.C9H11NO.C8H8N2.C8H7NO2.C6H7N/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-11-8-4-6-9-5-2-3-7-10(9)11;1-8-10-5-3-2-4-9(10)6-7-11-8;1-10-8-5-3-2-4-7(8)6-9(10)11;1-7-8-4-2-3-5-10(8)6-9-7;1-9-6-4-2-3-5-7(6)11-8(9)10;1-6-4-2-3-5-7-6/h2-8H,1H3;2-5H,6-7H2,1H3;2-7H,1H3;2-3,5,7H,4,6,8H2,1H3;2-7H,1H3;2-5,7-8H,6H2,1H3;2-6H,1H3;2-5H,1H3;2-5H,1H3
• InChIKey: AIVKQZJSDHHRBK-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 144.08 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.64
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one?

The IUPAC name of 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one (CID 157129003) is 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one.

What is the SMILES notation for 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one?

The canonical SMILES for 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one is CN1C(=O)CC2C=CC=CC21.CN1C(=O)CCc2ccccc21.CN1CCCc2ccccc21.Cc1cccc2ccccc12.Cc1ccccn1.Cc1nccc2ccccc12.Cc1ncn2ccccc12.Cn1c(=O)ccc2ccccc21.Cn1c(=O)oc2ccccc21.

What is the InChIKey of 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one?

The InChIKey is AIVKQZJSDHHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H11NO.C10H9NO.C10H13N.C10H9N.C9H11NO.C8H8N2.C8H7NO2.C6H7N/c1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-11-8-4-6-9-5-2-3-7-10(9)11;1-8-10-5-3-2-4-9(10)6-7-11-8;1-10-8-5-3-2-4-7(8)6-9(10)11;1-7-8-4-2-3-5-10(8)6-9-7;1-9-6-4-2-3-5-7(6)11-8(9)10;1-6-4-2-3-5-7-6/h2-8H,1H3;2-5H,6-7H2,1H3;2-7H,1H3;2-3,5,7H,4,6,8H2,1H3;2-7H,1H3;2-5,7-8H,6H2,1H3;2-6H,1H3;2-5H,1H3;2-5H,1H3.

What are the key properties of 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one?

1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one has a molecular weight of 1276.64 g/mol, XLogP of 16.02, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one is sourced from PubChem (CID 157129003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).