(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one

C13H14O2 — CID 67359240

IUPAC(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
SMILESCOc1ccc2c(c1)[C@@]1(CCC1=O)CC2
InChIInChI=1S/C13H14O2/c1-15-10-3-2-9-4-6-13(11(9)8-10)7-5-12(13)14/h2-3,8H,4-7H2,1H3/t13-/m0/s1
InChIKeySBRPAWVNYPBPLH-ZDUSSCGKSA-N
MW202.25 g/mol
LogP2.24
Rot. Bonds1

About (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one

(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one (PubChem CID 67359240) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one.

Molecular Properties

Compound Name(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
PubChem CID67359240
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
SMILESCOc1ccc2c(c1)[C@@]1(CCC1=O)CC2
InChIInChI=1S/C13H14O2/c1-15-10-3-2-9-4-6-13(11(9)8-10)7-5-12(13)14/h2-3,8H,4-7H2,1H3/t13-/m0/s1
InChIKeySBRPAWVNYPBPLH-ZDUSSCGKSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethoxy-1-indanone
CID 75018
(+)-Estrone 3-methyl ether
CID 92895
4-Methoxy-9-fluorenone
CID 241139
6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 231178
6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one
CID 75582
1H-Indene-1,3(2H)-dione, 2-(3-methoxyphenyl)-
CID 2817810
5,6-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 10878304
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
CID 13692942
13-Ethyl-3-methoxy-8,14-secogona-1,3,5(10)-9-tetraene-14,17-dion
CID 70062
5-Methoxyindan-1-one
CID 78787
2-Methoxyfluoren-9-one
CID 245489
6-Methoxy-1-Indanone
CID 334036

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one?
The IUPAC name of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one (CID 67359240) is (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one.
What is the SMILES notation for (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one?
The canonical SMILES for (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one is COc1ccc2c(c1)[C@@]1(CCC1=O)CC2.
What is the InChIKey of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one?
The InChIKey is SBRPAWVNYPBPLH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14O2/c1-15-10-3-2-9-4-6-13(11(9)8-10)7-5-12(13)14/h2-3,8H,4-7H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one?
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one has a molecular weight of 202.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one is sourced from PubChem (CID 67359240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).