2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde

C19H17NO5 — CID 146464642

IUPAC2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1cccc(N2C(=O)CCC2COc2cccc(O)c2C=O)c1
InChIInChI=1S/C19H17NO5/c21-10-13-3-1-4-14(9-13)20-15(7-8-19(20)24)12-25-18-6-2-5-17(23)16(18)11-22/h1-6,9-11,15,23H,7-8,12H2
InChIKeyQCGMPBOORKMUQZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.59
Rot. Bonds6

About 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde

2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 146464642) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde
PubChem CID146464642
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1cccc(N2C(=O)CCC2COc2cccc(O)c2C=O)c1
InChIInChI=1S/C19H17NO5/c21-10-13-3-1-4-14(9-13)20-15(7-8-19(20)24)12-25-18-6-2-5-17(23)16(18)11-22/h1-6,9-11,15,23H,7-8,12H2
InChIKeyQCGMPBOORKMUQZ-UHFFFAOYSA-N
XLogP2.59
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde (CID 146464642) is 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde is O=Cc1cccc(N2C(=O)CCC2COc2cccc(O)c2C=O)c1.
What is the InChIKey of 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is QCGMPBOORKMUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-10-13-3-1-4-14(9-13)20-15(7-8-19(20)24)12-25-18-6-2-5-17(23)16(18)11-22/h1-6,9-11,15,23H,7-8,12H2.
What are the key properties of 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde?
2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 339.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-formylphenyl)-5-oxopyrrolidin-2-yl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 146464642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).