3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde

C14H17NO4 — CID 2517806

IUPAC3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(=O)N1CCCC1
InChIInChI=1S/C14H17NO4/c1-18-13-8-11(9-16)4-5-12(13)19-10-14(17)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyWQPVWMPVTAJJCJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds5

About 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde

3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde (PubChem CID 2517806) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
PubChem CID2517806
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCC(=O)N1CCCC1
InChIInChI=1S/C14H17NO4/c1-18-13-8-11(9-16)4-5-12(13)19-10-14(17)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyWQPVWMPVTAJJCJ-UHFFFAOYSA-N
XLogP1.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde (CID 2517806) is 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde is COc1cc(C=O)ccc1OCC(=O)N1CCCC1.
What is the InChIKey of 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
The InChIKey is WQPVWMPVTAJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-13-8-11(9-16)4-5-12(13)19-10-14(17)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde?
3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde has a molecular weight of 263.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 2517806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).