5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid

C11H10O3 — CID 10397638

IUPAC5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCC2=O
InChIInChI=1S/C11H10O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1,4-5H,2-3,6H2,(H,13,14)
InChIKeyRXCHZIBXSFNHPN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds1

About 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid

5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid (PubChem CID 10397638) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
PubChem CID10397638
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCC2=O
InChIInChI=1S/C11H10O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1,4-5H,2-3,6H2,(H,13,14)
InChIKeyRXCHZIBXSFNHPN-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
CID 18937912
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
cyclobutanone;2-methylbenzene-1,3-dicarboxylic acid
CID 174422284
4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66647245
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
5-ethynyl-3,4-dihydro-2H-naphthalen-1-one
CID 21414823
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid?
The IUPAC name of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid (CID 10397638) is 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid?
The canonical SMILES for 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid is O=C(O)c1cccc2c1CCCC2=O.
What is the InChIKey of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid?
The InChIKey is RXCHZIBXSFNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1,4-5H,2-3,6H2,(H,13,14).
What are the key properties of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid?
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 10397638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).