6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one

C14H16O — CID 115010954

IUPAC6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
SMILESCc1ccc2c(c1)CCC(=O)C21CCC1
InChIInChI=1S/C14H16O/c1-10-3-5-12-11(9-10)4-6-13(15)14(12)7-2-8-14/h3,5,9H,2,4,6-8H2,1H3
InChIKeyQGROPDUXPPWRRT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.93
Rot. Bonds

About 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one

6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one (PubChem CID 115010954) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
PubChem CID115010954
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
SMILESCc1ccc2c(c1)CCC(=O)C21CCC1
InChIInChI=1S/C14H16O/c1-10-3-5-12-11(9-10)4-6-13(15)14(12)7-2-8-14/h3,5,9H,2,4,6-8H2,1H3
InChIKeyQGROPDUXPPWRRT-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010920
1-methoxy-5-methyl-2,3-dihydroindene-1-carbaldehyde
CID 105444249
7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione
CID 104696989
1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721907
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
1-hydroxy-6-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908874
6-methyl-2-methylidenespiro[1H-indene-3,1'-cyclopropane]
CID 167646875
6-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2'-one
CID 105468845
3-isocyanato-3,6-dimethyl-1,2-dihydroindene
CID 115017302
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
ethane;5-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]
CID 143517020
(5R)-5-amino-6',13'-dimethylspiro[pyrrolidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-2-one
CID 70646915

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one?
The IUPAC name of 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one (CID 115010954) is 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one.
What is the SMILES notation for 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one?
The canonical SMILES for 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one is Cc1ccc2c(c1)CCC(=O)C21CCC1.
What is the InChIKey of 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one?
The InChIKey is QGROPDUXPPWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-3-5-12-11(9-10)4-6-13(15)14(12)7-2-8-14/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one?
6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one is sourced from PubChem (CID 115010954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).