1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone

C17H15NO2 — CID 127026628

IUPAC1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone
SMILESCOc1cccc(-c2cc(C(C)=O)n3ccccc23)c1
InChIInChI=1S/C17H15NO2/c1-12(19)17-11-15(16-8-3-4-9-18(16)17)13-6-5-7-14(10-13)20-2/h3-11H,1-2H3
InChIKeyOEHLEZQCKKPDPX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.82
Rot. Bonds3

About 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone

1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone (PubChem CID 127026628) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone
PubChem CID127026628
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone
SMILESCOc1cccc(-c2cc(C(C)=O)n3ccccc23)c1
InChIInChI=1S/C17H15NO2/c1-12(19)17-11-15(16-8-3-4-9-18(16)17)13-6-5-7-14(10-13)20-2/h3-11H,1-2H3
InChIKeyOEHLEZQCKKPDPX-UHFFFAOYSA-N
XLogP3.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(3-methoxyphenyl)phenyl]acetic acid
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(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
3-bromo-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridine
CID 139886725
N-[[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
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CID 123866555

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone (CID 127026628) is 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone is COc1cccc(-c2cc(C(C)=O)n3ccccc23)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone?
The InChIKey is OEHLEZQCKKPDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)17-11-15(16-8-3-4-9-18(16)17)13-6-5-7-14(10-13)20-2/h3-11H,1-2H3.
What are the key properties of 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone?
1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)indolizin-3-yl]ethanone is sourced from PubChem (CID 127026628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).