5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C12H13N3O2 — CID 175928748

IUPAC5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILES[2H]c1ccc2c(c1)C1(CNC(C(N)=O)C1)C(=O)N2
InChIInChI=1S/C12H13N3O2/c13-10(16)9-5-12(6-14-9)7-3-1-2-4-8(7)15-11(12)17/h1-4,9,14H,5-6H2,(H2,13,16)(H,15,17)/i1D
InChIKeyXUYLQSPCFOVCBQ-MICDWDOJSA-N
MW232.26 g/mol
LogP-0.28
Rot. Bonds1

About 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 175928748) has the molecular formula C12H13N3O2 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID175928748
Molecular FormulaC12H13N3O2
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILES[2H]c1ccc2c(c1)C1(CNC(C(N)=O)C1)C(=O)N2
InChIInChI=1S/C12H13N3O2/c13-10(16)9-5-12(6-14-9)7-3-1-2-4-8(7)15-11(12)17/h1-4,9,14H,5-6H2,(H2,13,16)(H,15,17)/i1D
InChIKeyXUYLQSPCFOVCBQ-MICDWDOJSA-N
XLogP-0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
(2'S,3R)-7-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 171780693
2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
(2'S,3R)-4,4-difluoro-2-oxospiro[1H-quinoline-3,4'-pyrrolidine]-2'-carboxamide
CID 171733438
N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172710291
(5Z,7Z)-2-oxospiro[1H-cycloocta[b]pyrrole-3,4'-pyrrolidine]-2'-carboxamide
CID 174009159
N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172708107
N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172684257
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 175928748) is 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is [2H]c1ccc2c(c1)C1(CNC(C(N)=O)C1)C(=O)N2.
What is the InChIKey of 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is XUYLQSPCFOVCBQ-MICDWDOJSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10(16)9-5-12(6-14-9)7-3-1-2-4-8(7)15-11(12)17/h1-4,9,14H,5-6H2,(H2,13,16)(H,15,17)/i1D.
What are the key properties of 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 175928748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).