1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone

C16H20O — CID 118314357

IUPAC1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone
SMILESCC(=O)c1ccc(C)c2c1CCC21CCCC1
InChIInChI=1S/C16H20O/c1-11-5-6-13(12(2)17)14-7-10-16(15(11)14)8-3-4-9-16/h5-6H,3-4,7-10H2,1-2H3
InChIKeyLOGIHEZIVLIKDI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.96
Rot. Bonds1

About 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone

1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone (PubChem CID 118314357) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone.

Molecular Properties

Compound Name1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone
PubChem CID118314357
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone
SMILESCC(=O)c1ccc(C)c2c1CCC21CCCC1
InChIInChI=1S/C16H20O/c1-11-5-6-13(12(2)17)14-7-10-16(15(11)14)8-3-4-9-16/h5-6H,3-4,7-10H2,1-2H3
InChIKeyLOGIHEZIVLIKDI-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone?
The IUPAC name of 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone (CID 118314357) is 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone.
What is the SMILES notation for 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone?
The canonical SMILES for 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone is CC(=O)c1ccc(C)c2c1CCC21CCCC1.
What is the InChIKey of 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone?
The InChIKey is LOGIHEZIVLIKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-11-5-6-13(12(2)17)14-7-10-16(15(11)14)8-3-4-9-16/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone?
1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone has a molecular weight of 228.34 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone is sourced from PubChem (CID 118314357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).