1-methoxy-2-methylindolizine-3-carbaldehyde

C11H11NO2 — CID 87584045

IUPAC1-methoxy-2-methylindolizine-3-carbaldehyde
SMILESCOc1c(C)c(C=O)n2ccccc12
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)12-6-4-3-5-9(12)11(8)14-2/h3-7H,1-2H3
InChIKeyRIXMURUYKMHNIY-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.07
Rot. Bonds2

About 1-methoxy-2-methylindolizine-3-carbaldehyde

1-methoxy-2-methylindolizine-3-carbaldehyde (PubChem CID 87584045) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methoxy-2-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-2-methylindolizine-3-carbaldehyde
PubChem CID87584045
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-methoxy-2-methylindolizine-3-carbaldehyde
SMILESCOc1c(C)c(C=O)n2ccccc12
InChIInChI=1S/C11H11NO2/c1-8-10(7-13)12-6-4-3-5-9(12)11(8)14-2/h3-7H,1-2H3
InChIKeyRIXMURUYKMHNIY-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-2-methylindolizine-3-carbaldehyde?
The IUPAC name of 1-methoxy-2-methylindolizine-3-carbaldehyde (CID 87584045) is 1-methoxy-2-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 1-methoxy-2-methylindolizine-3-carbaldehyde?
The canonical SMILES for 1-methoxy-2-methylindolizine-3-carbaldehyde is COc1c(C)c(C=O)n2ccccc12.
What is the InChIKey of 1-methoxy-2-methylindolizine-3-carbaldehyde?
The InChIKey is RIXMURUYKMHNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-10(7-13)12-6-4-3-5-9(12)11(8)14-2/h3-7H,1-2H3.
What are the key properties of 1-methoxy-2-methylindolizine-3-carbaldehyde?
1-methoxy-2-methylindolizine-3-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 87584045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).