(3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]

C20H20N2 — CID 134947669

IUPAC(3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]
SMILESC=C[C@H]1CN(Cc2ccccc2)C[C@@]12C=Nc1ccccc12
InChIInChI=1S/C20H20N2/c1-2-17-13-22(12-16-8-4-3-5-9-16)15-20(17)14-21-19-11-7-6-10-18(19)20/h2-11,14,17H,1,12-13,15H2/t17-,20-/m0/s1
InChIKeyUYVSORXTPJZUMZ-PXNSSMCTSA-N
MW288.39 g/mol
LogP3.96
Rot. Bonds3

About (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]

(3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine] (PubChem CID 134947669) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine].

Molecular Properties

Compound Name(3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]
PubChem CID134947669
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]
SMILESC=C[C@H]1CN(Cc2ccccc2)C[C@@]12C=Nc1ccccc12
InChIInChI=1S/C20H20N2/c1-2-17-13-22(12-16-8-4-3-5-9-16)15-20(17)14-21-19-11-7-6-10-18(19)20/h2-11,14,17H,1,12-13,15H2/t17-,20-/m0/s1
InChIKeyUYVSORXTPJZUMZ-PXNSSMCTSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine Iodide
CID 16212367
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CID 6540442
Basic Violet 16
CID 6433480
1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium
CID 5982226
1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
CID 89218
3H-Indole, 3-(p-dimethylamino)benzylidene-
CID 6435301
Astraphloxin
CID 5705411
3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1)
CID 117518
1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide
CID 119007
Cyanines, 6
CID 6175185
N-(2-methylphenyl)-N-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]amine
CID 1211230
N-[4-(dimethylamino)phenyl]-N-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]amine
CID 1676177

Frequently Asked Questions

What is the IUPAC name of (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]?
The IUPAC name of (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine] (CID 134947669) is (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine].
What is the SMILES notation for (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]?
The canonical SMILES for (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine] is C=C[C@H]1CN(Cc2ccccc2)C[C@@]12C=Nc1ccccc12.
What is the InChIKey of (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]?
The InChIKey is UYVSORXTPJZUMZ-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-17-13-22(12-16-8-4-3-5-9-16)15-20(17)14-21-19-11-7-6-10-18(19)20/h2-11,14,17H,1,12-13,15H2/t17-,20-/m0/s1.
What are the key properties of (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine]?
(3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine] has a molecular weight of 288.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'R)-1'-benzyl-4'-ethenylspiro[indole-3,3'-pyrrolidine] is sourced from PubChem (CID 134947669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).