(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C14H16FNO — CID 141128956

IUPAC(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCC[C@H]2[C@H](c3ccc(F)cc3)CCN12
InChIInChI=1S/C14H16FNO/c15-11-6-4-10(5-7-11)12-8-9-16-13(12)2-1-3-14(16)17/h4-7,12-13H,1-3,8-9H2/t12-,13-/m0/s1
InChIKeyUETFVUCBSKASGW-STQMWFEESA-N
MW233.29 g/mol
LogP2.69
Rot. Bonds1

About (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 141128956) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID141128956
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCC[C@H]2[C@H](c3ccc(F)cc3)CCN12
InChIInChI=1S/C14H16FNO/c15-11-6-4-10(5-7-11)12-8-9-16-13(12)2-1-3-14(16)17/h4-7,12-13H,1-3,8-9H2/t12-,13-/m0/s1
InChIKeyUETFVUCBSKASGW-STQMWFEESA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-Methyl-5-phenyl-piperidin-2-one
CID 12012176
1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-ethanone
CID 19006316
1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 21959109
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
2-(4-Fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-Fluoro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810965
N,N-diethyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896964
[(1R,2S)-2-(4-Fluoro-phenyl)-cyclopropyl]-[(2S,3aS,7aS)-2-(pyrrolidine-1-carbonyl)-octahydro-indol-1-yl]-methanone
CID 44316712
1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-phenylethanone
CID 44418430
1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-phenylethanone
CID 44418431
2-(2-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106334

Frequently Asked Questions

What is the IUPAC name of (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 141128956) is (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CCC[C@H]2[C@H](c3ccc(F)cc3)CCN12.
What is the InChIKey of (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is UETFVUCBSKASGW-STQMWFEESA-N. The full InChI is InChI=1S/C14H16FNO/c15-11-6-4-10(5-7-11)12-8-9-16-13(12)2-1-3-14(16)17/h4-7,12-13H,1-3,8-9H2/t12-,13-/m0/s1.
What are the key properties of (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 233.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 141128956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).