[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol

C9H15NO — CID 130628952

IUPAC[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol
SMILESC[C@@]12CCCN1CC=C2CO
InChIInChI=1S/C9H15NO/c1-9-4-2-5-10(9)6-3-8(9)7-11/h3,11H,2,4-7H2,1H3/t9-/m0/s1
InChIKeyIWMVLERUAORCQY-VIFPVBQESA-N
MW153.22 g/mol
LogP0.77
Rot. Bonds1

About [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol

[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol (PubChem CID 130628952) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol.

Molecular Properties

Compound Name[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol
PubChem CID130628952
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol
SMILESC[C@@]12CCCN1CC=C2CO
InChIInChI=1S/C9H15NO/c1-9-4-2-5-10(9)6-3-8(9)7-11/h3,11H,2,4-7H2,1H3/t9-/m0/s1
InChIKeyIWMVLERUAORCQY-VIFPVBQESA-N
XLogP0.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizine-7-methanol
CID 164663
5,6,7,8-Tetrahydro-3H-pyrrolizin-1-ylmethanol
CID 186156
[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
CID 53483657
(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol
CID 130928605
(8-Methyl-3,5,6,7-tetrahydropyrrolizin-1-yl)methanol
CID 331355
1,2,3,5,6,8a-Hexahydroindolizin-8-ylmethanol
CID 11804970
[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
CID 177095528
[(7AR)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methanol
CID 12443151
[(8aR)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
CID 101838529
7-(Hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol
CID 130149135
(E,2S)-5-[(2R)-1,2-dimethylpyrrolidin-2-yl]-3-methylpent-3-en-2-ol
CID 163950534

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol?
The IUPAC name of [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol (CID 130628952) is [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol.
What is the SMILES notation for [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol?
The canonical SMILES for [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol is C[C@@]12CCCN1CC=C2CO.
What is the InChIKey of [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol?
The InChIKey is IWMVLERUAORCQY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-9-4-2-5-10(9)6-3-8(9)7-11/h3,11H,2,4-7H2,1H3/t9-/m0/s1.
What are the key properties of [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol?
[(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol has a molecular weight of 153.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-methyl-3,5,6,7-tetrahydropyrrolizin-1-yl]methanol is sourced from PubChem (CID 130628952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).