1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C15H19NO2 — CID 71301946

IUPAC1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCOc1cccc(C2CC(=O)N3CCCCC23)c1
InChIInChI=1S/C15H19NO2/c1-18-12-6-4-5-11(9-12)13-10-15(17)16-8-3-2-7-14(13)16/h4-6,9,13-14H,2-3,7-8,10H2,1H3
InChIKeySCHQYOVJQWWUPO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.56
Rot. Bonds2

About 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 71301946) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID71301946
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCOc1cccc(C2CC(=O)N3CCCCC23)c1
InChIInChI=1S/C15H19NO2/c1-18-12-6-4-5-11(9-12)13-10-15(17)16-8-3-2-7-14(13)16/h4-6,9,13-14H,2-3,7-8,10H2,1H3
InChIKeySCHQYOVJQWWUPO-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
CID 95710602
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 167374651
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97206838

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 71301946) is 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is COc1cccc(C2CC(=O)N3CCCCC23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is SCHQYOVJQWWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-12-6-4-5-11(9-12)13-10-15(17)16-8-3-2-7-14(13)16/h4-6,9,13-14H,2-3,7-8,10H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 71301946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).