4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one

C14H16O — CID 118319054

IUPAC4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
SMILESCc1ccc(C)c2c1C(=O)CC21CCC1
InChIInChI=1S/C14H16O/c1-9-4-5-10(2)13-12(9)11(15)8-14(13)6-3-7-14/h4-5H,3,6-8H2,1-2H3
InChIKeyRFUURNOMNYRWNW-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.31
Rot. Bonds

About 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one

4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one (PubChem CID 118319054) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one.

Molecular Properties

Compound Name4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
PubChem CID118319054
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
SMILESCc1ccc(C)c2c1C(=O)CC21CCC1
InChIInChI=1S/C14H16O/c1-9-4-5-10(2)13-12(9)11(15)8-14(13)6-3-7-14/h4-5H,3,6-8H2,1-2H3
InChIKeyRFUURNOMNYRWNW-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4-trimethyl-2H-inden-1-one
CID 22924740
4-aminospiro[2H-indene-3,4'-piperidine]-1-one
CID 143857081
2-hydrazinyl-7,10-dimethylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 137250270
4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 123186301
7-ethyl-4-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144593921
5-methyl-1H-quinoline-2,4-dione
CID 131700013
1-(2-fluoro-3,6-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84777391
5-bromospiro[2,3-dihydronaphthalene-4,1'-cyclopentane]-1-one;ethane
CID 145243856
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone
CID 118314357
2,2,4,7-tetramethylindene-1,3-dione
CID 139764535
5,8-dimethyl-3H-quinolin-4-one
CID 70279916

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
The IUPAC name of 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one (CID 118319054) is 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one.
What is the SMILES notation for 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
The canonical SMILES for 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one is Cc1ccc(C)c2c1C(=O)CC21CCC1.
What is the InChIKey of 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
The InChIKey is RFUURNOMNYRWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9-4-5-10(2)13-12(9)11(15)8-14(13)6-3-7-14/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one?
4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one is sourced from PubChem (CID 118319054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).