1-(methoxymethoxy)indole-2-carbaldehyde

C11H11NO3 — CID 10856622

IUPAC1-(methoxymethoxy)indole-2-carbaldehyde
SMILESCOCOn1c(C=O)cc2ccccc21
InChIInChI=1S/C11H11NO3/c1-14-8-15-12-10(7-13)6-9-4-2-3-5-11(9)12/h2-7H,8H2,1H3
InChIKeyMNXFSADYLRTFSU-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.49
Rot. Bonds4

About 1-(methoxymethoxy)indole-2-carbaldehyde

1-(methoxymethoxy)indole-2-carbaldehyde (PubChem CID 10856622) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(methoxymethoxy)indole-2-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethoxy)indole-2-carbaldehyde
PubChem CID10856622
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-(methoxymethoxy)indole-2-carbaldehyde
SMILESCOCOn1c(C=O)cc2ccccc21
InChIInChI=1S/C11H11NO3/c1-14-8-15-12-10(7-13)6-9-4-2-3-5-11(9)12/h2-7H,8H2,1H3
InChIKeyMNXFSADYLRTFSU-UHFFFAOYSA-N
XLogP1.49
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)indole-2-carbaldehyde?
The IUPAC name of 1-(methoxymethoxy)indole-2-carbaldehyde (CID 10856622) is 1-(methoxymethoxy)indole-2-carbaldehyde.
What is the SMILES notation for 1-(methoxymethoxy)indole-2-carbaldehyde?
The canonical SMILES for 1-(methoxymethoxy)indole-2-carbaldehyde is COCOn1c(C=O)cc2ccccc21.
What is the InChIKey of 1-(methoxymethoxy)indole-2-carbaldehyde?
The InChIKey is MNXFSADYLRTFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-8-15-12-10(7-13)6-9-4-2-3-5-11(9)12/h2-7H,8H2,1H3.
What are the key properties of 1-(methoxymethoxy)indole-2-carbaldehyde?
1-(methoxymethoxy)indole-2-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)indole-2-carbaldehyde is sourced from PubChem (CID 10856622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).