methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate

C10H11NO2 — CID 7020378

IUPACmethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C10H11NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKeyURORFKDEPJFPOV-VIFPVBQESA-N
MW177.20 g/mol
LogP1.20
Rot. Bonds1

About methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate

methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 7020378) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID7020378
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C10H11NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKeyURORFKDEPJFPOV-VIFPVBQESA-N
XLogP1.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate (CID 7020378) is methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate is COC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is URORFKDEPJFPOV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 7020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).