3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]

C12H13NO — CID 123928664

IUPAC3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]
SMILESCC1=CC2(Cc3ccccc3C2)ON1
InChIInChI=1S/C12H13NO/c1-9-6-12(14-13-9)7-10-4-2-3-5-11(10)8-12/h2-6,13H,7-8H2,1H3
InChIKeyILECTSZIZGNIGV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.96
Rot. Bonds

About 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]

3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole] (PubChem CID 123928664) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole].

Molecular Properties

Compound Name3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]
PubChem CID123928664
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]
SMILESCC1=CC2(Cc3ccccc3C2)ON1
InChIInChI=1S/C12H13NO/c1-9-6-12(14-13-9)7-10-4-2-3-5-11(10)8-12/h2-6,13H,7-8H2,1H3
InChIKeyILECTSZIZGNIGV-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,8,8-tetramethyl-7,9-dihydro-5H-benzo[7]annulene
CID 23270637
ethane;spiro[1,3-dihydroindene-2,4'-piperidine]
CID 168950333
3',4'-dimethylspiro[1,4-dihydroisochromene-3,5'-2H-furan]
CID 134986595
2-N'-methyl-1,3-dihydroindene-2,2-diamine
CID 143105320
N-methyl-2-(trifluoromethyl)-1,3-dihydroinden-2-amine
CID 66205549
2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
CID 114497122
(2'R)-2'-methylspiro[1,3-dihydroindene-2,4'-oxolane]
CID 166439861
ethane;2,2,4-trimethyl-1H-naphthalene
CID 143082444
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
CID 51028831
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
3-prop-1-ynyl-2,4-dihydrochromen-3-ol
CID 130605047

Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]?
The IUPAC name of 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole] (CID 123928664) is 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole].
What is the SMILES notation for 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]?
The canonical SMILES for 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole] is CC1=CC2(Cc3ccccc3C2)ON1.
What is the InChIKey of 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]?
The InChIKey is ILECTSZIZGNIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-6-12(14-13-9)7-10-4-2-3-5-11(10)8-12/h2-6,13H,7-8H2,1H3.
What are the key properties of 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole]?
3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole] has a molecular weight of 187.24 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[1,3-dihydroindene-2,5'-2H-1,2-oxazole] is sourced from PubChem (CID 123928664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).