(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H21NO — CID 59036125

IUPAC(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOc1ccc([C@H]2CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C15H21NO/c1-17-14-8-5-12(6-9-14)15-10-7-13-4-2-3-11-16(13)15/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3/t13-,15-/m1/s1
InChIKeyVQWXCKYWZRPUNU-UKRRQHHQSA-N
MW231.34 g/mol
LogP3.38
Rot. Bonds2

About (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 59036125) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID59036125
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCOc1ccc([C@H]2CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C15H21NO/c1-17-14-8-5-12(6-9-14)15-10-7-13-4-2-3-11-16(13)15/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3/t13-,15-/m1/s1
InChIKeyVQWXCKYWZRPUNU-UKRRQHHQSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

(3S,8aR)-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 68994105
(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11595089
(3R,8aR)-3-[4-(4-fluorophenyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036186
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
(3S,8aR)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 68994127
6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 124980413
(3R,6R,9aR)-3-iodo-6-(4-methoxyphenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 142695696
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(3R,8aR)-3-[2-(6-methoxynaphthalen-2-yl)ethynyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 132541244
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(2R,4aS,7aR)-1-hydroxy-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517136
(2R,4aR,7aR)-1-hydroxy-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 102517135

Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 59036125) is (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is COc1ccc([C@H]2CC[C@H]3CCCCN32)cc1.
What is the InChIKey of (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is VQWXCKYWZRPUNU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-14-8-5-12(6-9-14)15-10-7-13-4-2-3-11-16(13)15/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 231.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 59036125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).