(2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one

C13H16N2O2 — CID 146524351

IUPAC(2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
SMILESC[C@@H]1C[C@]2(CCO1)C(=O)Nc1cc(N)ccc12
InChIInChI=1S/C13H16N2O2/c1-8-7-13(4-5-17-8)10-3-2-9(14)6-11(10)15-12(13)16/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,16)/t8-,13+/m1/s1
InChIKeyVXNMUMAATLPWDZ-OQPBUACISA-N
MW232.28 g/mol
LogP1.66
Rot. Bonds

About (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one

(2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one (PubChem CID 146524351) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name(2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
PubChem CID146524351
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one
SMILESC[C@@H]1C[C@]2(CCO1)C(=O)Nc1cc(N)ccc12
InChIInChI=1S/C13H16N2O2/c1-8-7-13(4-5-17-8)10-3-2-9(14)6-11(10)15-12(13)16/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,16)/t8-,13+/m1/s1
InChIKeyVXNMUMAATLPWDZ-OQPBUACISA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
The IUPAC name of (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one (CID 146524351) is (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one.
What is the SMILES notation for (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
The canonical SMILES for (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one is C[C@@H]1C[C@]2(CCO1)C(=O)Nc1cc(N)ccc12.
What is the InChIKey of (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
The InChIKey is VXNMUMAATLPWDZ-OQPBUACISA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-7-13(4-5-17-8)10-3-2-9(14)6-11(10)15-12(13)16/h2-3,6,8H,4-5,7,14H2,1H3,(H,15,16)/t8-,13+/m1/s1.
What are the key properties of (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one?
(2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-6-amino-2'-methylspiro[1H-indole-3,4'-oxane]-2-one is sourced from PubChem (CID 146524351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).