spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione

C14H10O2 — CID 14141979

IUPACspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
SMILESO=C1C=CC2(C=C1)CC(=O)c1ccccc12
InChIInChI=1S/C14H10O2/c15-10-5-7-14(8-6-10)9-13(16)11-3-1-2-4-12(11)14/h1-8H,9H2
InChIKeyQUCQSKXVOYKMJZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.21
Rot. Bonds

About spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione

spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione (PubChem CID 14141979) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione.

Molecular Properties

Compound Namespiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
PubChem CID14141979
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Namespiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
SMILESO=C1C=CC2(C=C1)CC(=O)c1ccccc12
InChIInChI=1S/C14H10O2/c15-10-5-7-14(8-6-10)9-13(16)11-3-1-2-4-12(11)14/h1-8H,9H2
InChIKeyQUCQSKXVOYKMJZ-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14592987
spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
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(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
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(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
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CID 18673582
(4aR,10aS)-4a,10a-dimethyl-2,3,4,10-tetrahydro-1H-phenanthren-9-one
CID 94034647
5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one
CID 142185092
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
spiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-1-one
CID 176640105
spiro[2,3-dihydronaphthalene-4,1'-cyclohexane]-1-one
CID 54322685
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136

Frequently Asked Questions

What is the IUPAC name of spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione?
The IUPAC name of spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione (CID 14141979) is spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione.
What is the SMILES notation for spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione?
The canonical SMILES for spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione is O=C1C=CC2(C=C1)CC(=O)c1ccccc12.
What is the InChIKey of spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione?
The InChIKey is QUCQSKXVOYKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-10-5-7-14(8-6-10)9-13(16)11-3-1-2-4-12(11)14/h1-8H,9H2.
What are the key properties of spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione?
spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione has a molecular weight of 210.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione is sourced from PubChem (CID 14141979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).