(2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one

C25H27BrN2O — CID 53496169

IUPAC(2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESC=CCN1[C@H](C=C)C[C@]2(C(=O)N(CCC)c3ccc(Br)cc32)[C@@H]1c1ccccc1
InChIInChI=1S/C25H27BrN2O/c1-4-14-27-20(6-3)17-25(23(27)18-10-8-7-9-11-18)21-16-19(26)12-13-22(21)28(15-5-2)24(25)29/h4,6-13,16,20,23H,1,3,5,14-15,17H2,2H3/t20-,23+,25-/m1/s1
InChIKeyHZNSFAUSGDEOJZ-JHMXWDHMSA-N
MW451.41 g/mol
LogP5.63
Rot. Bonds6

About (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one

(2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53496169) has the molecular formula C25H27BrN2O and a molecular weight of 451.41 g/mol. Its IUPAC name is (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53496169
Molecular FormulaC25H27BrN2O
Molecular Weight451.41 g/mol
Exact Mass450.13
IUPAC Name(2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESC=CCN1[C@H](C=C)C[C@]2(C(=O)N(CCC)c3ccc(Br)cc32)[C@@H]1c1ccccc1
InChIInChI=1S/C25H27BrN2O/c1-4-14-27-20(6-3)17-25(23(27)18-10-8-7-9-11-18)21-16-19(26)12-13-22(21)28(15-5-2)24(25)29/h4,6-13,16,20,23H,1,3,5,14-15,17H2,2H3/t20-,23+,25-/m1/s1
InChIKeyHZNSFAUSGDEOJZ-JHMXWDHMSA-N
XLogP5.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
(1S,2S)-5'-bromo-2-(pyrrolidine-1-carbonyl)spiro[cyclopropane-1,3'-indoline]-2'-one
CID 15956432
1,1'-(Propane-1,3-diyl)bis(5-bromoindoline-2,3dione)
CID 85861642
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
CID 12052796
5-Bromo-1-methyl-2-oxoindoline
CID 2432666
N-(5-bromo-1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 665257
N-[5-bromo-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3624319
(1S,2S)-5'-bromo-N,N-diethyl-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxamide
CID 15956431
1'-Boc-5-Bromo-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]
CID 45789934
N-(4-bromo-2-fluorophenyl)-2-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide
CID 16031629
11,11-Dimethyl-1-benzylspiro[indoline-3,3'-pyrrolidine]-2-one
CID 3733026
CID 44819159
CID 44819159

Frequently Asked Questions

What is the IUPAC name of (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53496169) is (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one is C=CCN1[C@H](C=C)C[C@]2(C(=O)N(CCC)c3ccc(Br)cc32)[C@@H]1c1ccccc1.
What is the InChIKey of (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HZNSFAUSGDEOJZ-JHMXWDHMSA-N. The full InChI is InChI=1S/C25H27BrN2O/c1-4-14-27-20(6-3)17-25(23(27)18-10-8-7-9-11-18)21-16-19(26)12-13-22(21)28(15-5-2)24(25)29/h4,6-13,16,20,23H,1,3,5,14-15,17H2,2H3/t20-,23+,25-/m1/s1.
What are the key properties of (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one?
(2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 451.41 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R,5'S)-5-bromo-5'-ethenyl-2'-phenyl-1'-prop-2-enyl-1-propylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53496169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).