1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone

C67H69N9O5 — CID 157276684

About 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone

1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone (PubChem CID 157276684) has the molecular formula C67H69N9O5 and a molecular weight of 1080.35 g/mol. Its IUPAC name is 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone.

Molecular Properties

• Compound Name: 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone
• PubChem CID: 157276684
• Molecular Formula: C67H69N9O5
• Molecular Weight: 1080.35 g/mol
• Exact Mass: 1079.54
• IUPAC Name: 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone
• SMILES: CC(=O)c1ccc2[nH]cc(C)c2c1.CCn1cnc2c(N)ncnc21.COc1ccc2cc(C)ccc2c1.Cc1c[nH]c2ccccc12.Cc1ccc2[nH]cc(C=O)c2c1.Cc1ccc2c(c1)OCO2.Cc1ccc2c(ccn2C)c1
• InChI: InChI=1S/C12H12O.C11H11NO.C10H9NO.C10H11N.C9H9N.C8H8O2.C7H9N5/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-6-12-11-4-3-9(8(2)13)5-10(7)11;1-7-2-3-10-9(4-7)8(6-12)5-11-10;1-8-3-4-10-9(7-8)5-6-11(10)2;1-7-6-10-9-5-3-2-4-8(7)9;1-6-2-3-7-8(4-6)10-5-9-7;1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-8H,1-2H3;3-6,12H,1-2H3;2-6,11H,1H3;3-7H,1-2H3;2-6,10H,1H3;2-4H,5H2,1H3;3-4H,2H2,1H3,(H2,8,9,10)
• InChIKey: AZENKABNMKPUJO-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 183.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1080.35
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone?

The IUPAC name of 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone (CID 157276684) is 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone.

What is the SMILES notation for 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone?

The canonical SMILES for 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone is CC(=O)c1ccc2[nH]cc(C)c2c1.CCn1cnc2c(N)ncnc21.COc1ccc2cc(C)ccc2c1.Cc1c[nH]c2ccccc12.Cc1ccc2[nH]cc(C=O)c2c1.Cc1ccc2c(c1)OCO2.Cc1ccc2c(ccn2C)c1.

What is the InChIKey of 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone?

The InChIKey is AZENKABNMKPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C11H11NO.C10H9NO.C10H11N.C9H9N.C8H8O2.C7H9N5/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-7-6-12-11-4-3-9(8(2)13)5-10(7)11;1-7-2-3-10-9(4-7)8(6-12)5-11-10;1-8-3-4-10-9(7-8)5-6-11(10)2;1-7-6-10-9-5-3-2-4-8(7)9;1-6-2-3-7-8(4-6)10-5-9-7;1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-8H,1-2H3;3-6,12H,1-2H3;2-6,11H,1H3;3-7H,1-2H3;2-6,10H,1H3;2-4H,5H2,1H3;3-4H,2H2,1H3,(H2,8,9,10).

What are the key properties of 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone?

1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone has a molecular weight of 1080.35 g/mol, XLogP of 15.24, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethylindole;9-ethylpurin-6-amine;2-methoxy-6-methylnaphthalene;5-methyl-1,3-benzodioxole;3-methyl-1H-indole;5-methyl-1H-indole-3-carbaldehyde;1-(3-methyl-1H-indol-5-yl)ethanone is sourced from PubChem (CID 157276684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).