(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione

C19H18N2O3 — CID 162651123

IUPAC(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
SMILESCN1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1)N(C)C(=O)[C@@H]2O
InChIInChI=1S/C19H18N2O3/c1-20-14-11-7-6-10-13(14)19(18(20)24)15(12-8-4-3-5-9-12)21(2)17(23)16(19)22/h3-11,15-16,22H,1-2H3/t15-,16-,19-/m0/s1
InChIKeyCCQVNRKRFZHJTO-BXWFABGCSA-N
MW322.36 g/mol
LogP1.48
Rot. Bonds1

About (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione

(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione (PubChem CID 162651123) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione.

Molecular Properties

Compound Name(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
PubChem CID162651123
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione
SMILESCN1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1)N(C)C(=O)[C@@H]2O
InChIInChI=1S/C19H18N2O3/c1-20-14-11-7-6-10-13(14)19(18(20)24)15(12-8-4-3-5-9-12)21(2)17(23)16(19)22/h3-11,15-16,22H,1-2H3/t15-,16-,19-/m0/s1
InChIKeyCCQVNRKRFZHJTO-BXWFABGCSA-N
XLogP1.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
The IUPAC name of (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione (CID 162651123) is (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione.
What is the SMILES notation for (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
The canonical SMILES for (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione is CN1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1)N(C)C(=O)[C@@H]2O.
What is the InChIKey of (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
The InChIKey is CCQVNRKRFZHJTO-BXWFABGCSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20-14-11-7-6-10-13(14)19(18(20)24)15(12-8-4-3-5-9-12)21(2)17(23)16(19)22/h3-11,15-16,22H,1-2H3/t15-,16-,19-/m0/s1.
What are the key properties of (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione?
(3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione has a molecular weight of 322.36 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R,5'S)-3'-hydroxy-1,1'-dimethyl-5'-phenylspiro[indole-3,4'-pyrrolidine]-2,2'-dione is sourced from PubChem (CID 162651123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).