7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde

C9H8ClNO2 — CID 143806424

IUPAC7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
SMILESO=Cc1c(Cl)cc(=O)n2c1CCC2
InChIInChI=1S/C9H8ClNO2/c10-7-4-9(13)11-3-1-2-8(11)6(7)5-12/h4-5H,1-3H2
InChIKeyQMWGPDAWDYYGCX-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.26
Rot. Bonds1

About 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde

7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde (PubChem CID 143806424) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde.

Molecular Properties

Compound Name7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
PubChem CID143806424
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde
SMILESO=Cc1c(Cl)cc(=O)n2c1CCC2
InChIInChI=1S/C9H8ClNO2/c10-7-4-9(13)11-3-1-2-8(11)6(7)5-12/h4-5H,1-3H2
InChIKeyQMWGPDAWDYYGCX-UHFFFAOYSA-N
XLogP1.26
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.26
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-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
The IUPAC name of 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde (CID 143806424) is 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde.
What is the SMILES notation for 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
The canonical SMILES for 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde is O=Cc1c(Cl)cc(=O)n2c1CCC2.
What is the InChIKey of 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
The InChIKey is QMWGPDAWDYYGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-4-9(13)11-3-1-2-8(11)6(7)5-12/h4-5H,1-3H2.
What are the key properties of 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde?
7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde has a molecular weight of 197.62 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carbaldehyde is sourced from PubChem (CID 143806424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).