1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid

C15H14O5 — CID 164679911

IUPAC1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
SMILESO=C1c2ccccc2CCC1OC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C15H14O5/c16-12-10-4-2-1-3-9(10)5-6-11(12)20-14(19)15(7-8-15)13(17)18/h1-4,11H,5-8H2,(H,17,18)
InChIKeyWNUDRFLMAPVZMM-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.59
Rot. Bonds3

About 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid

1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid (PubChem CID 164679911) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
PubChem CID164679911
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
SMILESO=C1c2ccccc2CCC1OC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C15H14O5/c16-12-10-4-2-1-3-9(10)5-6-11(12)20-14(19)15(7-8-15)13(17)18/h1-4,11H,5-8H2,(H,17,18)
InChIKeyWNUDRFLMAPVZMM-UHFFFAOYSA-N
XLogP1.59
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1-oxo-3,4-dihydro-2H-naphthalen-2-yl) 2-ethylhexanoate
CID 142706898
1-(2-oxocycloheptyl)oxycarbonylcyclopropane-1-carboxylic acid
CID 164676761
(3-oxo-1,2-dihydroinden-2-yl) benzoate
CID 76516726
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
(1-methylidene-3,4-dihydro-2H-naphthalen-2-yl) acetate
CID 100962209
2-(2-chloro-2,2-difluoroacetyl)-3,4-dihydro-2H-naphthalen-1-one
CID 121009300
2-(carboxymethyl)-1-oxo-3,4-dihydronaphthalene-2-carboxylic acid
CID 10634266
2-benzyl-2-deuterio-3,4-dihydronaphthalen-1-one
CID 11107385
6-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)hexanoic acid
CID 18623264
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
methyl 2-bromo-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101369377
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502

Frequently Asked Questions

What is the IUPAC name of 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid (CID 164679911) is 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid is O=C1c2ccccc2CCC1OC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is WNUDRFLMAPVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-12-10-4-2-1-3-9(10)5-6-11(12)20-14(19)15(7-8-15)13(17)18/h1-4,11H,5-8H2,(H,17,18).
What are the key properties of 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 164679911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).