(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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Related Compounds

1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]
CID 2998281
Cambridge id 5240446
CID 1375900
N-[(2-methoxy-3H-indol-3-ylidene)methyl]-N,N-dimethylamine
CID 1375901
(3S)-1-benzyl-3-(methoxymethyl)-3-methyl-2H-indole
CID 134999220
1,3-Dihydro-1,3,3-trimethylspiro(2H-indole-2,5'(4'H)-isoxazole)
CID 5091508
2-Ethoxy-3,3-dimethylindole
CID 12653350
2-Methoxy-3,3-dimethylindole
CID 14169702
3-(Ethoxymethyl)-2,3-dimethylindole
CID 20553391
1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 57723288
Tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 59016189
1',3',3'-Trimethylspiro[1,4-oxazine-2,2'-indole]
CID 60147385
N-[2-(2-methoxy-3H-indol-4-yl)ethyl]propan-1-amine
CID 68091363

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).