(3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]

C13H16N2O — CID 124642213

IUPAC(3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]
SMILESCOC1=Nc2ccccc2[C@]12CCN(C)C2
InChIInChI=1S/C13H16N2O/c1-15-8-7-13(9-15)10-5-3-4-6-11(10)14-12(13)16-2/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyZUUAQWLDDHDCGQ-CYBMUJFWSA-N
MW216.28 g/mol
LogP1.95
Rot. Bonds

About (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]

(3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine] (PubChem CID 124642213) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine].

Molecular Properties

Compound Name(3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]
PubChem CID124642213
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]
SMILESCOC1=Nc2ccccc2[C@]12CCN(C)C2
InChIInChI=1S/C13H16N2O/c1-15-8-7-13(9-15)10-5-3-4-6-11(10)14-12(13)16-2/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyZUUAQWLDDHDCGQ-CYBMUJFWSA-N
XLogP1.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]?
The IUPAC name of (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine] (CID 124642213) is (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine].
What is the SMILES notation for (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]?
The canonical SMILES for (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine] is COC1=Nc2ccccc2[C@]12CCN(C)C2.
What is the InChIKey of (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]?
The InChIKey is ZUUAQWLDDHDCGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-7-13(9-15)10-5-3-4-6-11(10)14-12(13)16-2/h3-6H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]?
(3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine] has a molecular weight of 216.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine] is sourced from PubChem (CID 124642213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).