4-deuterio-5-methoxy-7-methyl-1H-indole

C10H11NO — CID 175994098

IUPAC4-deuterio-5-methoxy-7-methyl-1H-indole
SMILES[2H]c1c(OC)cc(C)c2[nH]ccc12
InChIInChI=1S/C10H11NO/c1-7-5-9(12-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3/i6D
InChIKeyYGPVRHHGKCQSIL-RAMDWTOOSA-N
MW162.21 g/mol
LogP2.48
Rot. Bonds1

About 4-deuterio-5-methoxy-7-methyl-1H-indole

4-deuterio-5-methoxy-7-methyl-1H-indole (PubChem CID 175994098) has the molecular formula C10H11NO and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-deuterio-5-methoxy-7-methyl-1H-indole.

Molecular Properties

Compound Name4-deuterio-5-methoxy-7-methyl-1H-indole
PubChem CID175994098
Molecular FormulaC10H11NO
Molecular Weight162.21 g/mol
Exact Mass162.09
IUPAC Name4-deuterio-5-methoxy-7-methyl-1H-indole
SMILES[2H]c1c(OC)cc(C)c2[nH]ccc12
InChIInChI=1S/C10H11NO/c1-7-5-9(12-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3/i6D
InChIKeyYGPVRHHGKCQSIL-RAMDWTOOSA-N
XLogP2.48
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-5-methoxy-7-methyl-1H-indole?
The IUPAC name of 4-deuterio-5-methoxy-7-methyl-1H-indole (CID 175994098) is 4-deuterio-5-methoxy-7-methyl-1H-indole.
What is the SMILES notation for 4-deuterio-5-methoxy-7-methyl-1H-indole?
The canonical SMILES for 4-deuterio-5-methoxy-7-methyl-1H-indole is [2H]c1c(OC)cc(C)c2[nH]ccc12.
What is the InChIKey of 4-deuterio-5-methoxy-7-methyl-1H-indole?
The InChIKey is YGPVRHHGKCQSIL-RAMDWTOOSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-5-9(12-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3/i6D.
What are the key properties of 4-deuterio-5-methoxy-7-methyl-1H-indole?
4-deuterio-5-methoxy-7-methyl-1H-indole has a molecular weight of 162.21 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-5-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 175994098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).