1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone

C13H14ClNO2 — CID 145010898

IUPAC1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone
SMILESCOCCc1cc(C(C)=O)c2c(Cl)cccn12
InChIInChI=1S/C13H14ClNO2/c1-9(16)11-8-10(5-7-17-2)15-6-3-4-12(14)13(11)15/h3-4,6,8H,5,7H2,1-2H3
InChIKeyWUVCAHGPLGLNLI-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.98
Rot. Bonds4

About 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone

1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone (PubChem CID 145010898) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone
PubChem CID145010898
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone
SMILESCOCCc1cc(C(C)=O)c2c(Cl)cccn12
InChIInChI=1S/C13H14ClNO2/c1-9(16)11-8-10(5-7-17-2)15-6-3-4-12(14)13(11)15/h3-4,6,8H,5,7H2,1-2H3
InChIKeyWUVCAHGPLGLNLI-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone?
The IUPAC name of 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone (CID 145010898) is 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone.
What is the SMILES notation for 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone?
The canonical SMILES for 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone is COCCc1cc(C(C)=O)c2c(Cl)cccn12.
What is the InChIKey of 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone?
The InChIKey is WUVCAHGPLGLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9(16)11-8-10(5-7-17-2)15-6-3-4-12(14)13(11)15/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone?
1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone has a molecular weight of 251.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]ethanone is sourced from PubChem (CID 145010898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).