2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde

C10H13NO — CID 11171151

IUPAC2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde
SMILESO=CC[C@H]1CCCn2cccc21
InChIInChI=1S/C10H13NO/c12-8-5-9-3-1-6-11-7-2-4-10(9)11/h2,4,7-9H,1,3,5-6H2/t9-/m1/s1
InChIKeyWWNCQKGKKRMAMY-SECBINFHSA-N
MW163.22 g/mol
LogP1.95
Rot. Bonds2

About 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde

2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde (PubChem CID 11171151) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde
PubChem CID11171151
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde
SMILESO=CC[C@H]1CCCn2cccc21
InChIInChI=1S/C10H13NO/c12-8-5-9-3-1-6-11-7-2-4-10(9)11/h2,4,7-9H,1,3,5-6H2/t9-/m1/s1
InChIKeyWWNCQKGKKRMAMY-SECBINFHSA-N
XLogP1.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde?
The IUPAC name of 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde (CID 11171151) is 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde.
What is the SMILES notation for 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde?
The canonical SMILES for 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde is O=CC[C@H]1CCCn2cccc21.
What is the InChIKey of 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde?
The InChIKey is WWNCQKGKKRMAMY-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO/c12-8-5-9-3-1-6-11-7-2-4-10(9)11/h2,4,7-9H,1,3,5-6H2/t9-/m1/s1.
What are the key properties of 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde?
2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R)-5,6,7,8-tetrahydroindolizin-8-yl]acetaldehyde is sourced from PubChem (CID 11171151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).