1,8a-dihydroquinoline-6-carbaldehyde

C10H9NO — CID 118964603

IUPAC1,8a-dihydroquinoline-6-carbaldehyde
SMILESO=CC1=CC2=CC=CNC2C=C1
InChIInChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7,10-11H
InChIKeyUOAFBVDTWXGZLO-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.09
Rot. Bonds1

About 1,8a-dihydroquinoline-6-carbaldehyde

1,8a-dihydroquinoline-6-carbaldehyde (PubChem CID 118964603) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,8a-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name1,8a-dihydroquinoline-6-carbaldehyde
PubChem CID118964603
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1,8a-dihydroquinoline-6-carbaldehyde
SMILESO=CC1=CC2=CC=CNC2C=C1
InChIInChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7,10-11H
InChIKeyUOAFBVDTWXGZLO-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 1,8a-dihydroquinoline-6-carbaldehyde?
The IUPAC name of 1,8a-dihydroquinoline-6-carbaldehyde (CID 118964603) is 1,8a-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for 1,8a-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for 1,8a-dihydroquinoline-6-carbaldehyde is O=CC1=CC2=CC=CNC2C=C1.
What is the InChIKey of 1,8a-dihydroquinoline-6-carbaldehyde?
The InChIKey is UOAFBVDTWXGZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7,10-11H.
What are the key properties of 1,8a-dihydroquinoline-6-carbaldehyde?
1,8a-dihydroquinoline-6-carbaldehyde has a molecular weight of 159.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 118964603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).