(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C13H12N4O2 — CID 171780693

IUPAC(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESN#Cc1cccc2c1NC(=O)[C@@]21CN[C@H](C(N)=O)C1
InChIInChI=1S/C13H12N4O2/c14-5-7-2-1-3-8-10(7)17-12(19)13(8)4-9(11(15)18)16-6-13/h1-3,9,16H,4,6H2,(H2,15,18)(H,17,19)/t9-,13-/m0/s1
InChIKeyMGOMHSPZLAXDFI-ZANVPECISA-N
MW256.27 g/mol
LogP-0.40
Rot. Bonds1

About (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 171780693) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID171780693
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESN#Cc1cccc2c1NC(=O)[C@@]21CN[C@H](C(N)=O)C1
InChIInChI=1S/C13H12N4O2/c14-5-7-2-1-3-8-10(7)17-12(19)13(8)4-9(11(15)18)16-6-13/h1-3,9,16H,4,6H2,(H2,15,18)(H,17,19)/t9-,13-/m0/s1
InChIKeyMGOMHSPZLAXDFI-ZANVPECISA-N
XLogP-0.40
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 171780693) is (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is N#Cc1cccc2c1NC(=O)[C@@]21CN[C@H](C(N)=O)C1.
What is the InChIKey of (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is MGOMHSPZLAXDFI-ZANVPECISA-N. The full InChI is InChI=1S/C13H12N4O2/c14-5-7-2-1-3-8-10(7)17-12(19)13(8)4-9(11(15)18)16-6-13/h1-3,9,16H,4,6H2,(H2,15,18)(H,17,19)/t9-,13-/m0/s1.
What are the key properties of (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 256.27 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 171780693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).