methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate

C14H14O3 — CID 12046332

IUPACmethyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate
SMILESCOC(=O)C12c3ccccc3C(=O)C1C2(C)C
InChIInChI=1S/C14H14O3/c1-13(2)11-10(15)8-6-4-5-7-9(8)14(11,13)12(16)17-3/h4-7,11H,1-3H3
InChIKeyQFZKNXGGQHVCRU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.95
Rot. Bonds1

About methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate

methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate (PubChem CID 12046332) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate.

Molecular Properties

Compound Namemethyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate
PubChem CID12046332
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namemethyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate
SMILESCOC(=O)C12c3ccccc3C(=O)C1C2(C)C
InChIInChI=1S/C14H14O3/c1-13(2)11-10(15)8-6-4-5-7-9(8)14(11,13)12(16)17-3/h4-7,11H,1-3H3
InChIKeyQFZKNXGGQHVCRU-UHFFFAOYSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
CID 99815
methyl (1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetate
CID 754873
methyl (1S,2R,9S,12S)-4,12-dimethyl-14-methylidene-13-oxotetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylate
CID 162645126
methyl (1S,2R,9R,12S)-4,12-dimethyl-14-methylidene-13-oxotetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylate
CID 162646975
(1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid
CID 725641
4-Fluoro-3-oxo-1-phenyl-1-indanecarboxylic acid
CID 3822579
methyl 2-[2-(3H-inden-1-yl)-3-oxo-1H-inden-2-yl]acetate
CID 20693167
Methyl 9-oxo-9h-fluorene-4-carboxylate
CID 272047
1H-Indene-2-acetic acid, 2,3-dihydro-1,3-dioxo-2-hydroxy-alpha-phenyl-, ethyl ester
CID 3054056
methyl 2,2-dimethyl-3-oxo-2,3-dihydro-1H-indene-1-carboxylate
CID 56978620
Ethyl 2-(1-cyclohexyl-3-oxo-1,2-dihydroinden-5-yl)propanoate
CID 90675234
ethyl [1,3-dioxo-2-(4-propylbenzyl)-2,3-dihydro-1H-inden-2-yl]acetate
CID 2837105

Frequently Asked Questions

What is the IUPAC name of methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate?
The IUPAC name of methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate (CID 12046332) is methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate.
What is the SMILES notation for methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate?
The canonical SMILES for methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate is COC(=O)C12c3ccccc3C(=O)C1C2(C)C.
What is the InChIKey of methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate?
The InChIKey is QFZKNXGGQHVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-13(2)11-10(15)8-6-4-5-7-9(8)14(11,13)12(16)17-3/h4-7,11H,1-3H3.
What are the key properties of methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate?
methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate is sourced from PubChem (CID 12046332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).