6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid

C11H10O3 — CID 91105240

IUPAC6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid
SMILESO=C1CC=C2C=C(C(=O)O)C=CC2C1
InChIInChI=1S/C11H10O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-3,5,8H,4,6H2,(H,13,14)
InChIKeyDEJLQZXMEFHIMW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.47
Rot. Bonds1

About 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid

6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid (PubChem CID 91105240) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid
PubChem CID91105240
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid
SMILESO=C1CC=C2C=C(C(=O)O)C=CC2C1
InChIInChI=1S/C11H10O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-3,5,8H,4,6H2,(H,13,14)
InChIKeyDEJLQZXMEFHIMW-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid?
The IUPAC name of 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid (CID 91105240) is 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid?
The canonical SMILES for 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid is O=C1CC=C2C=C(C(=O)O)C=CC2C1.
What is the InChIKey of 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid?
The InChIKey is DEJLQZXMEFHIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-3,5,8H,4,6H2,(H,13,14).
What are the key properties of 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid?
6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5,7-dihydro-4aH-naphthalene-2-carboxylic acid is sourced from PubChem (CID 91105240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).