(2R)-spiro[1H-indole-2,2'-oxane]-3-one

C12H13NO2 — CID 129382796

IUPAC(2R)-spiro[1H-indole-2,2'-oxane]-3-one
SMILESO=C1c2ccccc2N[C@@]12CCCCO2
InChIInChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-15-12/h1-2,5-6,13H,3-4,7-8H2/t12-/m1/s1
InChIKeyNFGJNRZHCMSBFE-GFCCVEGCSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds

About (2R)-spiro[1H-indole-2,2'-oxane]-3-one

(2R)-spiro[1H-indole-2,2'-oxane]-3-one (PubChem CID 129382796) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-spiro[1H-indole-2,2'-oxane]-3-one.

Molecular Properties

Compound Name(2R)-spiro[1H-indole-2,2'-oxane]-3-one
PubChem CID129382796
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R)-spiro[1H-indole-2,2'-oxane]-3-one
SMILESO=C1c2ccccc2N[C@@]12CCCCO2
InChIInChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-15-12/h1-2,5-6,13H,3-4,7-8H2/t12-/m1/s1
InChIKeyNFGJNRZHCMSBFE-GFCCVEGCSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-spiro[1H-indole-2,2'-oxane]-3-one?
The IUPAC name of (2R)-spiro[1H-indole-2,2'-oxane]-3-one (CID 129382796) is (2R)-spiro[1H-indole-2,2'-oxane]-3-one.
What is the SMILES notation for (2R)-spiro[1H-indole-2,2'-oxane]-3-one?
The canonical SMILES for (2R)-spiro[1H-indole-2,2'-oxane]-3-one is O=C1c2ccccc2N[C@@]12CCCCO2.
What is the InChIKey of (2R)-spiro[1H-indole-2,2'-oxane]-3-one?
The InChIKey is NFGJNRZHCMSBFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-15-12/h1-2,5-6,13H,3-4,7-8H2/t12-/m1/s1.
What are the key properties of (2R)-spiro[1H-indole-2,2'-oxane]-3-one?
(2R)-spiro[1H-indole-2,2'-oxane]-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-spiro[1H-indole-2,2'-oxane]-3-one is sourced from PubChem (CID 129382796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).