(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

C15H21NO — CID 27234418

IUPAC(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESCc1cccc([C@]2(O)CCN3CCCC[C@@H]32)c1
InChIInChI=1S/C15H21NO/c1-12-5-4-6-13(11-12)15(17)8-10-16-9-3-2-7-14(15)16/h4-6,11,14,17H,2-3,7-10H2,1H3/t14-,15-/m1/s1
InChIKeySUHSQSJPRUKZFO-HUUCEWRRSA-N
MW231.34 g/mol
LogP2.44
Rot. Bonds1

About (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (PubChem CID 27234418) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.

Molecular Properties

Compound Name(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
PubChem CID27234418
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESCc1cccc([C@]2(O)CCN3CCCC[C@@H]32)c1
InChIInChI=1S/C15H21NO/c1-12-5-4-6-13(11-12)15(17)8-10-16-9-3-2-7-14(15)16/h4-6,11,14,17H,2-3,7-10H2,1H3/t14-,15-/m1/s1
InChIKeySUHSQSJPRUKZFO-HUUCEWRRSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The IUPAC name of (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (CID 27234418) is (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.
What is the SMILES notation for (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The canonical SMILES for (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is Cc1cccc([C@]2(O)CCN3CCCC[C@@H]32)c1.
What is the InChIKey of (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The InChIKey is SUHSQSJPRUKZFO-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-4-6-13(11-12)15(17)8-10-16-9-3-2-7-14(15)16/h4-6,11,14,17H,2-3,7-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is sourced from PubChem (CID 27234418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).