(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]

C12H13NO — CID 58433158

IUPAC(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
SMILESCC1=NO[C@]2(CCc3ccccc32)C1
InChIInChI=1S/C12H13NO/c1-9-8-12(14-13-9)7-6-10-4-2-3-5-11(10)12/h2-5H,6-8H2,1H3/t12-/m1/s1
InChIKeyAFHATCJTIKHUOK-GFCCVEGCSA-N
MW187.24 g/mol
LogP2.62
Rot. Bonds

About (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]

(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] (PubChem CID 58433158) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole].

Molecular Properties

Compound Name(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
PubChem CID58433158
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]
SMILESCC1=NO[C@]2(CCc3ccccc32)C1
InChIInChI=1S/C12H13NO/c1-9-8-12(14-13-9)7-6-10-4-2-3-5-11(10)12/h2-5H,6-8H2,1H3/t12-/m1/s1
InChIKeyAFHATCJTIKHUOK-GFCCVEGCSA-N
XLogP2.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
The IUPAC name of (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] (CID 58433158) is (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole].
What is the SMILES notation for (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
The canonical SMILES for (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] is CC1=NO[C@]2(CCc3ccccc32)C1.
What is the InChIKey of (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
The InChIKey is AFHATCJTIKHUOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-8-12(14-13-9)7-6-10-4-2-3-5-11(10)12/h2-5H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]?
(3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] has a molecular weight of 187.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-methylspiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole] is sourced from PubChem (CID 58433158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).