(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde

C8H13NO2 — CID 170904654

IUPAC(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde
SMILESO=C[C@@]12CCCN1C[C@H](O)C2
InChIInChI=1S/C8H13NO2/c10-6-8-2-1-3-9(8)5-7(11)4-8/h6-7,11H,1-5H2/t7-,8+/m1/s1
InChIKeyNQCJZPKPXYUUKO-SFYZADRCSA-N
MW155.20 g/mol
LogP-0.22
Rot. Bonds1

About (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde

(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde (PubChem CID 170904654) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde.

Molecular Properties

Compound Name(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde
PubChem CID170904654
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde
SMILESO=C[C@@]12CCCN1C[C@H](O)C2
InChIInChI=1S/C8H13NO2/c10-6-8-2-1-3-9(8)5-7(11)4-8/h6-7,11H,1-5H2/t7-,8+/m1/s1
InChIKeyNQCJZPKPXYUUKO-SFYZADRCSA-N
XLogP-0.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde?
The IUPAC name of (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde (CID 170904654) is (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde.
What is the SMILES notation for (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde?
The canonical SMILES for (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde is O=C[C@@]12CCCN1C[C@H](O)C2.
What is the InChIKey of (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde?
The InChIKey is NQCJZPKPXYUUKO-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-8-2-1-3-9(8)5-7(11)4-8/h6-7,11H,1-5H2/t7-,8+/m1/s1.
What are the key properties of (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde?
(2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carbaldehyde is sourced from PubChem (CID 170904654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).