5-oxo-1H-naphthalene-2-carbaldehyde

C11H8O2 — CID 19746571

IUPAC5-oxo-1H-naphthalene-2-carbaldehyde
SMILESO=CC1=CC=C2C(=O)C=CC=C2C1
InChIInChI=1S/C11H8O2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-5,7H,6H2
InChIKeyGKDTVCPCEZNEOF-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.51
Rot. Bonds1

About 5-oxo-1H-naphthalene-2-carbaldehyde

5-oxo-1H-naphthalene-2-carbaldehyde (PubChem CID 19746571) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-oxo-1H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-oxo-1H-naphthalene-2-carbaldehyde
PubChem CID19746571
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name5-oxo-1H-naphthalene-2-carbaldehyde
SMILESO=CC1=CC=C2C(=O)C=CC=C2C1
InChIInChI=1S/C11H8O2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-5,7H,6H2
InChIKeyGKDTVCPCEZNEOF-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
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 5-oxo-1H-naphthalene-2-carbaldehyde?
The IUPAC name of 5-oxo-1H-naphthalene-2-carbaldehyde (CID 19746571) is 5-oxo-1H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 5-oxo-1H-naphthalene-2-carbaldehyde?
The canonical SMILES for 5-oxo-1H-naphthalene-2-carbaldehyde is O=CC1=CC=C2C(=O)C=CC=C2C1.
What is the InChIKey of 5-oxo-1H-naphthalene-2-carbaldehyde?
The InChIKey is GKDTVCPCEZNEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-5,7H,6H2.
What are the key properties of 5-oxo-1H-naphthalene-2-carbaldehyde?
5-oxo-1H-naphthalene-2-carbaldehyde has a molecular weight of 172.18 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 5-oxo-1H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 19746571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).