hydron;4H-quinolizine-4-carbaldehyde

C10H10NO+ — CID 174554638

IUPAChydron;4H-quinolizine-4-carbaldehyde
SMILESO=CC1C=CC=C2C=CC=CN21.[H+]
InChIInChI=1S/C10H9NO/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8,10H/p+1
InChIKeyUQZLREZKESOUGK-UHFFFAOYSA-O
MW160.20 g/mol
LogP1.51
Rot. Bonds1

About hydron;4H-quinolizine-4-carbaldehyde

hydron;4H-quinolizine-4-carbaldehyde (PubChem CID 174554638) has the molecular formula C10H10NO+ and a molecular weight of 160.20 g/mol. Its IUPAC name is hydron;4H-quinolizine-4-carbaldehyde.

Molecular Properties

Compound Namehydron;4H-quinolizine-4-carbaldehyde
PubChem CID174554638
Molecular FormulaC10H10NO+
Molecular Weight160.20 g/mol
Exact Mass160.08
IUPAC Namehydron;4H-quinolizine-4-carbaldehyde
SMILESO=CC1C=CC=C2C=CC=CN21.[H+]
InChIInChI=1S/C10H9NO/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8,10H/p+1
InChIKeyUQZLREZKESOUGK-UHFFFAOYSA-O
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 51.51
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 hydron;4H-quinolizine-4-carbaldehyde?
The IUPAC name of hydron;4H-quinolizine-4-carbaldehyde (CID 174554638) is hydron;4H-quinolizine-4-carbaldehyde.
What is the SMILES notation for hydron;4H-quinolizine-4-carbaldehyde?
The canonical SMILES for hydron;4H-quinolizine-4-carbaldehyde is O=CC1C=CC=C2C=CC=CN21.[H+].
What is the InChIKey of hydron;4H-quinolizine-4-carbaldehyde?
The InChIKey is UQZLREZKESOUGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9NO/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8,10H/p+1.
What are the key properties of hydron;4H-quinolizine-4-carbaldehyde?
hydron;4H-quinolizine-4-carbaldehyde has a molecular weight of 160.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4H-quinolizine-4-carbaldehyde is sourced from PubChem (CID 174554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).