(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C8H15NO2 — CID 163074803

IUPAC(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC[C@]1(O)CCN2CCC[C@@H]21
InChIInChI=1S/C8H15NO2/c10-6-8(11)3-5-9-4-1-2-7(8)9/h7,10-11H,1-6H2/t7-,8-/m1/s1
InChIKeyBVBVPQCRUAZHFR-HTQZYQBOSA-N
MW157.21 g/mol
LogP-0.42
Rot. Bonds1

About (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 163074803) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID163074803
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC[C@]1(O)CCN2CCC[C@@H]21
InChIInChI=1S/C8H15NO2/c10-6-8(11)3-5-9-4-1-2-7(8)9/h7,10-11H,1-6H2/t7-,8-/m1/s1
InChIKeyBVBVPQCRUAZHFR-HTQZYQBOSA-N
XLogP-0.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 101202509
1-(2-cyclopropylethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 106590583
1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855864
1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856895
2-(1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl)acetic acid
CID 83909842
1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857000
1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 105402722
1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855647
1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 83171533
2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
CID 82856381
[1-(benzylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82855751

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 163074803) is (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC[C@]1(O)CCN2CCC[C@@H]21.
What is the InChIKey of (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is BVBVPQCRUAZHFR-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO2/c10-6-8(11)3-5-9-4-1-2-7(8)9/h7,10-11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
(1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 157.21 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 163074803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).