1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C16H23NO2 — CID 104658943

IUPAC1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCCCOc1ccccc1C1(O)CCN2CCCC21
InChIInChI=1S/C16H23NO2/c1-2-12-19-14-7-4-3-6-13(14)16(18)9-11-17-10-5-8-15(16)17/h3-4,6-7,15,18H,2,5,8-12H2,1H3
InChIKeyNBHSQDBPIBDKRW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 104658943) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID104658943
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCCCOc1ccccc1C1(O)CCN2CCCC21
InChIInChI=1S/C16H23NO2/c1-2-12-19-14-7-4-3-6-13(14)16(18)9-11-17-10-5-8-15(16)17/h3-4,6-7,15,18H,2,5,8-12H2,1H3
InChIKeyNBHSQDBPIBDKRW-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 104658943) is 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is CCCOc1ccccc1C1(O)CCN2CCCC21.
What is the InChIKey of 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is NBHSQDBPIBDKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-12-19-14-7-4-3-6-13(14)16(18)9-11-17-10-5-8-15(16)17/h3-4,6-7,15,18H,2,5,8-12H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 104658943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).