chromen-2-one;copper

C9H6CuO2 — CID 175033656

IUPACchromen-2-one;copper
SMILESO=c1ccc2ccccc2o1.[Cu]
InChIInChI=1S/C9H6O2.Cu/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H;
InChIKeyZWDXIZYFPREHKR-UHFFFAOYSA-N
MW209.69 g/mol
LogP1.79
Rot. Bonds

About chromen-2-one;copper

chromen-2-one;copper (PubChem CID 175033656) has the molecular formula C9H6CuO2 and a molecular weight of 209.69 g/mol. Its IUPAC name is chromen-2-one;copper.

Molecular Properties

Compound Namechromen-2-one;copper
PubChem CID175033656
Molecular FormulaC9H6CuO2
Molecular Weight209.69 g/mol
Exact Mass208.97
IUPAC Namechromen-2-one;copper
SMILESO=c1ccc2ccccc2o1.[Cu]
InChIInChI=1S/C9H6O2.Cu/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H;
InChIKeyZWDXIZYFPREHKR-UHFFFAOYSA-N
XLogP1.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.69
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

CID 175559318
CID 175559318
chromen-2-one;1,4-dioxine
CID 175414540
CID 155018405
CID 155018405
chromen-2-one;quinoxaline
CID 174951370
chromen-2-one;piperidine
CID 162207704
chromen-2-one;bis(prop-2-enoic acid)
CID 175490612
chromen-2-one;4,5-dihydro-1,2-oxazole
CID 174885895
CID 90964935
CID 90964935
chromen-2-one;3-methylfuran
CID 174615885
bis(chromen-2-one);3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone;dihydrate
CID 139190164
acridin-9-amine;chromen-2-one;hydrochloride
CID 88505410
chromen-2-one;N-methylprop-2-enamide
CID 175576112

Frequently Asked Questions

What is the IUPAC name of chromen-2-one;copper?
The IUPAC name of chromen-2-one;copper (CID 175033656) is chromen-2-one;copper.
What is the SMILES notation for chromen-2-one;copper?
The canonical SMILES for chromen-2-one;copper is O=c1ccc2ccccc2o1.[Cu].
What is the InChIKey of chromen-2-one;copper?
The InChIKey is ZWDXIZYFPREHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.Cu/c10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H;.
What are the key properties of chromen-2-one;copper?
chromen-2-one;copper has a molecular weight of 209.69 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;copper is sourced from PubChem (CID 175033656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).