1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C16H23NO — CID 82856895

IUPAC1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCc1cccc(C)c1CC1(O)CCN2CCCC21
InChIInChI=1S/C16H23NO/c1-12-5-3-6-13(2)14(12)11-16(18)8-10-17-9-4-7-15(16)17/h3,5-6,15,18H,4,7-11H2,1-2H3
InChIKeyJDHPHYYFWMVLFE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.45
Rot. Bonds2

About 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856895) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856895
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCc1cccc(C)c1CC1(O)CCN2CCCC21
InChIInChI=1S/C16H23NO/c1-12-5-3-6-13(2)14(12)11-16(18)8-10-17-9-4-7-15(16)17/h3,5-6,15,18H,4,7-11H2,1-2H3
InChIKeyJDHPHYYFWMVLFE-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856895) is 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is Cc1cccc(C)c1CC1(O)CCN2CCCC21.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is JDHPHYYFWMVLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-3-6-13(2)14(12)11-16(18)8-10-17-9-4-7-15(16)17/h3,5-6,15,18H,4,7-11H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).