3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one

C13H16N2O2 — CID 7059832

IUPAC3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCOC[C@H](C)/N=C/C1C(=O)Nc2ccccc21
InChIInChI=1S/C13H16N2O2/c1-9(8-17-2)14-7-11-10-5-3-4-6-12(10)15-13(11)16/h3-7,9,11H,8H2,1-2H3,(H,15,16)/b14-7+/t9-,11?/m0/s1
InChIKeyOFDISGIIBWQCAT-MWSGORQISA-N
MW232.28 g/mol
LogP1.83
Rot. Bonds4

About 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one

3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 7059832) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID7059832
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCOC[C@H](C)/N=C/C1C(=O)Nc2ccccc21
InChIInChI=1S/C13H16N2O2/c1-9(8-17-2)14-7-11-10-5-3-4-6-12(10)15-13(11)16/h3-7,9,11H,8H2,1-2H3,(H,15,16)/b14-7+/t9-,11?/m0/s1
InChIKeyOFDISGIIBWQCAT-MWSGORQISA-N
XLogP1.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one (CID 7059832) is 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one is COC[C@H](C)/N=C/C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is OFDISGIIBWQCAT-MWSGORQISA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(8-17-2)14-7-11-10-5-3-4-6-12(10)15-13(11)16/h3-7,9,11H,8H2,1-2H3,(H,15,16)/b14-7+/t9-,11?/m0/s1.
What are the key properties of 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one?
3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 7059832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).