2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine

C58H65ClN8O5 — CID 157075907

About 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine

2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine (PubChem CID 157075907) has the molecular formula C58H65ClN8O5 and a molecular weight of 989.66 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine.

Molecular Properties

• Compound Name: 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine
• PubChem CID: 157075907
• Molecular Formula: C58H65ClN8O5
• Molecular Weight: 989.66 g/mol
• Exact Mass: 988.48
• IUPAC Name: 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine
• SMILES: CN(C)C(=O)Cc1c[nH]c2ccccc12.CN(C)C(=O)Cc1c[nH]c2ccccc12.CN(C)C(C)(C)Cc1c[nH]c2ccccc12.O=C(Cl)Cc1c[nH]c2ccccc12.O=C(O)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C14H20N2.2C12H14N2O.C10H8ClNO.C10H9NO2/c1-14(2,16(3)4)9-11-10-15-13-8-6-5-7-12(11)13;2*1-14(2)12(15)7-9-8-13-11-6-4-3-5-10(9)11;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h5-8,10,15H,9H2,1-4H3;2*3-6,8,13H,7H2,1-2H3;1-4,6,12H,5H2;1-4,6,11H,5H2,(H,12,13)
• InChIKey: ACYWXVKKLSNXGC-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 177.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.66
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine?

The IUPAC name of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine (CID 157075907) is 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine.

What is the SMILES notation for 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine?

The canonical SMILES for 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine is CN(C)C(=O)Cc1c[nH]c2ccccc12.CN(C)C(=O)Cc1c[nH]c2ccccc12.CN(C)C(C)(C)Cc1c[nH]c2ccccc12.O=C(Cl)Cc1c[nH]c2ccccc12.O=C(O)Cc1c[nH]c2ccccc12.

What is the InChIKey of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine?

The InChIKey is ACYWXVKKLSNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.2C12H14N2O.C10H8ClNO.C10H9NO2/c1-14(2,16(3)4)9-11-10-15-13-8-6-5-7-12(11)13;2*1-14(2)12(15)7-9-8-13-11-6-4-3-5-10(9)11;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h5-8,10,15H,9H2,1-4H3;2*3-6,8,13H,7H2,1-2H3;1-4,6,12H,5H2;1-4,6,11H,5H2,(H,12,13).

What are the key properties of 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine?

2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine has a molecular weight of 989.66 g/mol, XLogP of 10.92, 11 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 157075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).