methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate

C12H14O3 — CID 15137902

IUPACmethyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate
SMILESCOC(=O)CC1=CC2=C(CCC2=O)CC1
InChIInChI=1S/C12H14O3/c1-15-12(14)7-8-2-3-9-4-5-11(13)10(9)6-8/h6H,2-5,7H2,1H3
InChIKeySENNCWNNUIKYES-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate

methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate (PubChem CID 15137902) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate
PubChem CID15137902
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate
SMILESCOC(=O)CC1=CC2=C(CCC2=O)CC1
InChIInChI=1S/C12H14O3/c1-15-12(14)7-8-2-3-9-4-5-11(13)10(9)6-8/h6H,2-5,7H2,1H3
InChIKeySENNCWNNUIKYES-UHFFFAOYSA-N
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90634
Methyl 5-oxocyclopent-1-ene-1-heptanoate
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3-(3-Oxo-cyclopent-1-enyl)-propionic acid methyl ester
CID 11182843
Ethyl 5-oxocyclopent-1-ene-1-heptanoate
CID 15573491
methyl (7E)-7-(2-oxocyclopent-3-en-1-ylidene)heptanoate
CID 44442761
Methyl 2-(cyclohexen-1-yl)-2-oxoacetate
CID 10442080
1-Cyclopentene-1-propanoic acid, 5-oxo-, methyl ester
CID 11073810
Ethyl 2-(3-oxocyclohexen-1-yl)acetate
CID 12372536
Ethyl 2-(3-oxocyclopenten-1-yl)acetate
CID 14612268
Methyl 7-(3,5-dioxocyclopent-1-en-1-yl)heptanoate
CID 23240957
Ethyl 3-(3-oxocyclopenten-1-yl)propanoate
CID 14175309
Ethyl 4-(3-oxocyclopenten-1-yl)butanoate
CID 86175856

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate (CID 15137902) is methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate is COC(=O)CC1=CC2=C(CCC2=O)CC1.
What is the InChIKey of methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate?
The InChIKey is SENNCWNNUIKYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)7-8-2-3-9-4-5-11(13)10(9)6-8/h6H,2-5,7H2,1H3.
What are the key properties of methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate?
methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate has a molecular weight of 206.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1,2,6,7-tetrahydroinden-5-yl)acetate is sourced from PubChem (CID 15137902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).