4-oxoquinolizine-1-carbaldehyde

C10H7NO2 — CID 23257497

IUPAC4-oxoquinolizine-1-carbaldehyde
SMILESO=Cc1ccc(=O)n2ccccc12
InChIInChI=1S/C10H7NO2/c12-7-8-4-5-10(13)11-6-2-1-3-9(8)11/h1-7H
InChIKeyMNZXAQILCQDAMI-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.11
Rot. Bonds1

About 4-oxoquinolizine-1-carbaldehyde

4-oxoquinolizine-1-carbaldehyde (PubChem CID 23257497) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-oxoquinolizine-1-carbaldehyde.

Molecular Properties

Compound Name4-oxoquinolizine-1-carbaldehyde
PubChem CID23257497
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name4-oxoquinolizine-1-carbaldehyde
SMILESO=Cc1ccc(=O)n2ccccc12
InChIInChI=1S/C10H7NO2/c12-7-8-4-5-10(13)11-6-2-1-3-9(8)11/h1-7H
InChIKeyMNZXAQILCQDAMI-UHFFFAOYSA-N
XLogP1.11
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.11
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 4-oxoquinolizine-1-carbaldehyde?
The IUPAC name of 4-oxoquinolizine-1-carbaldehyde (CID 23257497) is 4-oxoquinolizine-1-carbaldehyde.
What is the SMILES notation for 4-oxoquinolizine-1-carbaldehyde?
The canonical SMILES for 4-oxoquinolizine-1-carbaldehyde is O=Cc1ccc(=O)n2ccccc12.
What is the InChIKey of 4-oxoquinolizine-1-carbaldehyde?
The InChIKey is MNZXAQILCQDAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-7-8-4-5-10(13)11-6-2-1-3-9(8)11/h1-7H.
What are the key properties of 4-oxoquinolizine-1-carbaldehyde?
4-oxoquinolizine-1-carbaldehyde has a molecular weight of 173.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoquinolizine-1-carbaldehyde is sourced from PubChem (CID 23257497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).