7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde

C8H7NO2 — CID 11040858

IUPAC7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde
SMILESO=Cc1ccc2n1CCC2=O
InChIInChI=1S/C8H7NO2/c10-5-6-1-2-7-8(11)3-4-9(6)7/h1-2,5H,3-4H2
InChIKeyAKFYZJKSKIFJJT-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.89
Rot. Bonds1

About 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde

7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde (PubChem CID 11040858) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde.

Molecular Properties

Compound Name7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde
PubChem CID11040858
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde
SMILESO=Cc1ccc2n1CCC2=O
InChIInChI=1S/C8H7NO2/c10-5-6-1-2-7-8(11)3-4-9(6)7/h1-2,5H,3-4H2
InChIKeyAKFYZJKSKIFJJT-UHFFFAOYSA-N
XLogP0.89
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
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 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde?
The IUPAC name of 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde (CID 11040858) is 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde.
What is the SMILES notation for 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde?
The canonical SMILES for 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde is O=Cc1ccc2n1CCC2=O.
What is the InChIKey of 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde?
The InChIKey is AKFYZJKSKIFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-5-6-1-2-7-8(11)3-4-9(6)7/h1-2,5H,3-4H2.
What are the key properties of 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde?
7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde has a molecular weight of 149.15 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5,6-dihydropyrrolizine-3-carbaldehyde is sourced from PubChem (CID 11040858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).