6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde

C11H10O2 — CID 18757514

IUPAC6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde
SMILESO=CC1=CC=C2CC(=O)C=CC2C1
InChIInChI=1S/C11H10O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-4,7,9H,5-6H2
InChIKeyWYWHPIAFUFMGGO-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.59
Rot. Bonds1

About 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde

6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde (PubChem CID 18757514) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde
PubChem CID18757514
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde
SMILESO=CC1=CC=C2CC(=O)C=CC2C1
InChIInChI=1S/C11H10O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-4,7,9H,5-6H2
InChIKeyWYWHPIAFUFMGGO-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.59
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 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde?
The IUPAC name of 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde (CID 18757514) is 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde?
The canonical SMILES for 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde is O=CC1=CC=C2CC(=O)C=CC2C1.
What is the InChIKey of 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde?
The InChIKey is WYWHPIAFUFMGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-4,7,9H,5-6H2.
What are the key properties of 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde?
6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 18757514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).