7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol

C8H15NO3 — CID 85408452

IUPAC7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
SMILESOCC1(O)CCN2CCC(O)C21
InChIInChI=1S/C8H15NO3/c10-5-8(12)2-4-9-3-1-6(11)7(8)9/h6-7,10-12H,1-5H2
InChIKeyNGWMXODAPSOEMX-UHFFFAOYSA-N
MW173.21 g/mol
LogP-1.45
Rot. Bonds1

About 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol

7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol (PubChem CID 85408452) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol.

Molecular Properties

Compound Name7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
PubChem CID85408452
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
SMILESOCC1(O)CCN2CCC(O)C21
InChIInChI=1S/C8H15NO3/c10-5-8(12)2-4-9-3-1-6(11)7(8)9/h6-7,10-12H,1-5H2
InChIKeyNGWMXODAPSOEMX-UHFFFAOYSA-N
XLogP-1.45
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
The IUPAC name of 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol (CID 85408452) is 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol.
What is the SMILES notation for 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
The canonical SMILES for 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol is OCC1(O)CCN2CCC(O)C21.
What is the InChIKey of 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
The InChIKey is NGWMXODAPSOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-8(12)2-4-9-3-1-6(11)7(8)9/h6-7,10-12H,1-5H2.
What are the key properties of 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol has a molecular weight of 173.21 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol is sourced from PubChem (CID 85408452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).