4H-quinolizine-4-carbaldehyde

C10H9NO — CID 174258355

IUPAC4H-quinolizine-4-carbaldehyde
SMILESO=CC1C=CC=C2C=CC=CN21
InChIInChI=1S/C10H9NO/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8,10H
InChIKeyUQZLREZKESOUGK-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.39
Rot. Bonds1

About 4H-quinolizine-4-carbaldehyde

4H-quinolizine-4-carbaldehyde (PubChem CID 174258355) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4H-quinolizine-4-carbaldehyde.

Molecular Properties

Compound Name4H-quinolizine-4-carbaldehyde
PubChem CID174258355
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4H-quinolizine-4-carbaldehyde
SMILESO=CC1C=CC=C2C=CC=CN21
InChIInChI=1S/C10H9NO/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8,10H
InChIKeyUQZLREZKESOUGK-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.39
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 4H-quinolizine-4-carbaldehyde?
The IUPAC name of 4H-quinolizine-4-carbaldehyde (CID 174258355) is 4H-quinolizine-4-carbaldehyde.
What is the SMILES notation for 4H-quinolizine-4-carbaldehyde?
The canonical SMILES for 4H-quinolizine-4-carbaldehyde is O=CC1C=CC=C2C=CC=CN21.
What is the InChIKey of 4H-quinolizine-4-carbaldehyde?
The InChIKey is UQZLREZKESOUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8,10H.
What are the key properties of 4H-quinolizine-4-carbaldehyde?
4H-quinolizine-4-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-quinolizine-4-carbaldehyde is sourced from PubChem (CID 174258355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).