2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde

C19H19NO3 — CID 134544893

IUPAC2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde
SMILESCc1cccc(OC[C@@H]2CCC(=O)N2c2ccccc2)c1C=O
InChIInChI=1S/C19H19NO3/c1-14-6-5-9-18(17(14)12-21)23-13-16-10-11-19(22)20(16)15-7-3-2-4-8-15/h2-9,12,16H,10-11,13H2,1H3/t16-/m0/s1
InChIKeyGMYRWNLPBDADJU-INIZCTEOSA-N
MW309.37 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde

2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde (PubChem CID 134544893) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde
PubChem CID134544893
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde
SMILESCc1cccc(OC[C@@H]2CCC(=O)N2c2ccccc2)c1C=O
InChIInChI=1S/C19H19NO3/c1-14-6-5-9-18(17(14)12-21)23-13-16-10-11-19(22)20(16)15-7-3-2-4-8-15/h2-9,12,16H,10-11,13H2,1H3/t16-/m0/s1
InChIKeyGMYRWNLPBDADJU-INIZCTEOSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde (CID 134544893) is 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde is Cc1cccc(OC[C@@H]2CCC(=O)N2c2ccccc2)c1C=O.
What is the InChIKey of 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde?
The InChIKey is GMYRWNLPBDADJU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-6-5-9-18(17(14)12-21)23-13-16-10-11-19(22)20(16)15-7-3-2-4-8-15/h2-9,12,16H,10-11,13H2,1H3/t16-/m0/s1.
What are the key properties of 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde?
2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde has a molecular weight of 309.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 134544893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).