(3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one

C13H13NO2 — CID 56648240

IUPAC(3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one
SMILESCc1cccc2c([C@H]3CCOC3=O)c[nH]c12
InChIInChI=1S/C13H13NO2/c1-8-3-2-4-9-11(7-14-12(8)9)10-5-6-16-13(10)15/h2-4,7,10,14H,5-6H2,1H3/t10-/m1/s1
InChIKeyXPDIXMFGOFKQPE-SNVBAGLBSA-N
MW215.25 g/mol
LogP2.51
Rot. Bonds1

About (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one

(3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one (PubChem CID 56648240) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one
PubChem CID56648240
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one
SMILESCc1cccc2c([C@H]3CCOC3=O)c[nH]c12
InChIInChI=1S/C13H13NO2/c1-8-3-2-4-9-11(7-14-12(8)9)10-5-6-16-13(10)15/h2-4,7,10,14H,5-6H2,1H3/t10-/m1/s1
InChIKeyXPDIXMFGOFKQPE-SNVBAGLBSA-N
XLogP2.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one?
The IUPAC name of (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one (CID 56648240) is (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one.
What is the SMILES notation for (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one?
The canonical SMILES for (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one is Cc1cccc2c([C@H]3CCOC3=O)c[nH]c12.
What is the InChIKey of (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one?
The InChIKey is XPDIXMFGOFKQPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-3-2-4-9-11(7-14-12(8)9)10-5-6-16-13(10)15/h2-4,7,10,14H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one?
(3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(7-methyl-1H-indol-3-yl)oxolan-2-one is sourced from PubChem (CID 56648240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).