5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde

C8H9NO2 — CID 14395198

IUPAC5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde
SMILESO=CC1=CCN2C(=O)CCC12
InChIInChI=1S/C8H9NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h3,5,7H,1-2,4H2
InChIKeyXJKUUECRFIYIHK-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.12
Rot. Bonds1

About 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde

5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde (PubChem CID 14395198) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde.

Molecular Properties

Compound Name5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde
PubChem CID14395198
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde
SMILESO=CC1=CCN2C(=O)CCC12
InChIInChI=1S/C8H9NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h3,5,7H,1-2,4H2
InChIKeyXJKUUECRFIYIHK-UHFFFAOYSA-N
XLogP0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde?
The IUPAC name of 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde (CID 14395198) is 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde.
What is the SMILES notation for 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde?
The canonical SMILES for 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde is O=CC1=CCN2C(=O)CCC12.
What is the InChIKey of 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde?
The InChIKey is XJKUUECRFIYIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h3,5,7H,1-2,4H2.
What are the key properties of 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde?
5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3,6,7,8-tetrahydropyrrolizine-1-carbaldehyde is sourced from PubChem (CID 14395198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).