1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde

C15H18N2O3 — CID 169091237

IUPAC1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CC(O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H18N2O3/c18-11-12-9-17(14-4-2-1-3-13(12)14)10-15(19)16-5-7-20-8-6-16/h1-4,9,11,15,19H,5-8,10H2
InChIKeyLROVLIQRMATMCB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde

1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde (PubChem CID 169091237) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde
PubChem CID169091237
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CC(O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H18N2O3/c18-11-12-9-17(14-4-2-1-3-13(12)14)10-15(19)16-5-7-20-8-6-16/h1-4,9,11,15,19H,5-8,10H2
InChIKeyLROVLIQRMATMCB-UHFFFAOYSA-N
XLogP1.10
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.10
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 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde?
The IUPAC name of 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde (CID 169091237) is 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde is O=Cc1cn(CC(O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde?
The InChIKey is LROVLIQRMATMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-11-12-9-17(14-4-2-1-3-13(12)14)10-15(19)16-5-7-20-8-6-16/h1-4,9,11,15,19H,5-8,10H2.
What are the key properties of 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde?
1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-morpholin-4-ylethyl)indole-3-carbaldehyde is sourced from PubChem (CID 169091237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).