[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol

C9H15NO — CID 177095528

IUPAC[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
SMILESCC1=CCN2CCC[C@@]12CO
InChIInChI=1S/C9H15NO/c1-8-3-6-10-5-2-4-9(8,10)7-11/h3,11H,2,4-7H2,1H3/t9-/m1/s1
InChIKeyUSAPIQYBLKHBOO-SECBINFHSA-N
MW153.23 g/mol
LogP0.77
Rot. Bonds1

About [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol

[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol (PubChem CID 177095528) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
PubChem CID177095528
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
SMILESCC1=CCN2CCC[C@@]12CO
InChIInChI=1S/C9H15NO/c1-8-3-6-10-5-2-4-9(8,10)7-11/h3,11H,2,4-7H2,1H3/t9-/m1/s1
InChIKeyUSAPIQYBLKHBOO-SECBINFHSA-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 ≤ 500153.23
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

Cambridge id 5414386
CID 3717985
(7-Fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
CID 163870816
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
(2-Fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl)methanol
CID 166162578
(6-Fluoro-2,3-dihydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 166984294
[(2R,6E,8R)-6-ethylidene-2-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169560137
[(6E)-6-ethylidene-2-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 169560138
[(2R,8R)-6-ethylidene-2-fluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 171614098
[(2R,8R)-2-fluoro-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
CID 172287681
[(2R,8R)-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
CID 172287953
(8-Methyl-3,5,6,7-tetrahydropyrrolizin-1-yl)methanol
CID 331355
(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)methanol
CID 118940550

Frequently Asked Questions

What is the IUPAC name of [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol (CID 177095528) is [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol is CC1=CCN2CCC[C@@]12CO.
What is the InChIKey of [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol?
The InChIKey is USAPIQYBLKHBOO-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-3-6-10-5-2-4-9(8,10)7-11/h3,11H,2,4-7H2,1H3/t9-/m1/s1.
What are the key properties of [(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol?
[(8S)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol has a molecular weight of 153.23 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)-7-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 177095528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).