methyl (7S)-7H-indole-7-carboxylate

C10H9NO2 — CID 124581921

IUPACmethyl (7S)-7H-indole-7-carboxylate
SMILESCOC(=O)[C@H]1C=CC=C2C=CN=C21
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,8H,1H3/t8-/m0/s1
InChIKeyAXEIPFFVBZZUQQ-QMMMGPOBSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds1

About methyl (7S)-7H-indole-7-carboxylate

methyl (7S)-7H-indole-7-carboxylate (PubChem CID 124581921) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is methyl (7S)-7H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-7H-indole-7-carboxylate
PubChem CID124581921
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Namemethyl (7S)-7H-indole-7-carboxylate
SMILESCOC(=O)[C@H]1C=CC=C2C=CN=C21
InChIInChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,8H,1H3/t8-/m0/s1
InChIKeyAXEIPFFVBZZUQQ-QMMMGPOBSA-N
XLogP1.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (7S)-7H-indole-7-carboxylate?
The IUPAC name of methyl (7S)-7H-indole-7-carboxylate (CID 124581921) is methyl (7S)-7H-indole-7-carboxylate.
What is the SMILES notation for methyl (7S)-7H-indole-7-carboxylate?
The canonical SMILES for methyl (7S)-7H-indole-7-carboxylate is COC(=O)[C@H]1C=CC=C2C=CN=C21.
What is the InChIKey of methyl (7S)-7H-indole-7-carboxylate?
The InChIKey is AXEIPFFVBZZUQQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,8H,1H3/t8-/m0/s1.
What are the key properties of methyl (7S)-7H-indole-7-carboxylate?
methyl (7S)-7H-indole-7-carboxylate has a molecular weight of 175.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-7H-indole-7-carboxylate is sourced from PubChem (CID 124581921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).