[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol

C9H17NO — CID 162401841

IUPAC[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
SMILESC[C@@H]1CCN2CC[C@H](CO)[C@H]12
InChIInChI=1S/C9H17NO/c1-7-2-4-10-5-3-8(6-11)9(7)10/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyRQDULNISEAKHDR-HLTSFMKQSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds1

About [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol

[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol (PubChem CID 162401841) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.

Molecular Properties

Compound Name[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
PubChem CID162401841
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
SMILESC[C@@H]1CCN2CC[C@H](CO)[C@H]12
InChIInChI=1S/C9H17NO/c1-7-2-4-10-5-3-8(6-11)9(7)10/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyRQDULNISEAKHDR-HLTSFMKQSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol 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 [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
The IUPAC name of [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol (CID 162401841) is [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.
What is the SMILES notation for [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
The canonical SMILES for [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol is C[C@@H]1CCN2CC[C@H](CO)[C@H]12.
What is the InChIKey of [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
The InChIKey is RQDULNISEAKHDR-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-2-4-10-5-3-8(6-11)9(7)10/h7-9,11H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol?
[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol is sourced from PubChem (CID 162401841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).