1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone

C11H13NO3 — CID 11969606

IUPAC1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone
SMILESCO[C@@H]1[C@@H](O)c2ccccc2N1C(C)=O
InChIInChI=1S/C11H13NO3/c1-7(13)12-9-6-4-3-5-8(9)10(14)11(12)15-2/h3-6,10-11,14H,1-2H3/t10-,11+/m0/s1
InChIKeyQBCUORKCMRFDHT-WDEREUQCSA-N
MW207.23 g/mol
LogP1.06
Rot. Bonds1

About 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone

1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone (PubChem CID 11969606) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone
PubChem CID11969606
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone
SMILESCO[C@@H]1[C@@H](O)c2ccccc2N1C(C)=O
InChIInChI=1S/C11H13NO3/c1-7(13)12-9-6-4-3-5-8(9)10(14)11(12)15-2/h3-6,10-11,14H,1-2H3/t10-,11+/m0/s1
InChIKeyQBCUORKCMRFDHT-WDEREUQCSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone (CID 11969606) is 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone is CO[C@@H]1[C@@H](O)c2ccccc2N1C(C)=O.
What is the InChIKey of 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is QBCUORKCMRFDHT-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)12-9-6-4-3-5-8(9)10(14)11(12)15-2/h3-6,10-11,14H,1-2H3/t10-,11+/m0/s1.
What are the key properties of 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone?
1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 207.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-hydroxy-2-methoxy-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 11969606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).