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

C16H20N2O2 — CID 10445944

IUPAC2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C16H20N2O2/c1-13-15(12-19)14-4-2-3-5-16(14)18(13)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3
InChIKeyVLPKXRQLMVWESP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds4

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

2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde (PubChem CID 10445944) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde
PubChem CID10445944
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C16H20N2O2/c1-13-15(12-19)14-4-2-3-5-16(14)18(13)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3
InChIKeyVLPKXRQLMVWESP-UHFFFAOYSA-N
XLogP2.09
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
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 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde?
The IUPAC name of 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde (CID 10445944) is 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde?
The InChIKey is VLPKXRQLMVWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-15(12-19)14-4-2-3-5-16(14)18(13)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde?
2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbaldehyde is sourced from PubChem (CID 10445944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).