1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C15H15N5O3 — CID 157015175

IUPAC1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1nc(C(=O)N2CCC3(C2)C(=O)Nc2ccccc23)[nH]c1=O
InChIInChI=1S/C15H15N5O3/c1-19-14(23)17-11(18-19)12(21)20-7-6-15(8-20)9-4-2-3-5-10(9)16-13(15)22/h2-5H,6-8H2,1H3,(H,16,22)(H,17,18,23)
InChIKeyWTKVEIYKKXMQCB-UHFFFAOYSA-N
MW313.32 g/mol
LogP-0.16
Rot. Bonds1

About 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 157015175) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID157015175
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1nc(C(=O)N2CCC3(C2)C(=O)Nc2ccccc23)[nH]c1=O
InChIInChI=1S/C15H15N5O3/c1-19-14(23)17-11(18-19)12(21)20-7-6-15(8-20)9-4-2-3-5-10(9)16-13(15)22/h2-5H,6-8H2,1H3,(H,16,22)(H,17,18,23)
InChIKeyWTKVEIYKKXMQCB-UHFFFAOYSA-N
XLogP-0.16
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 157015175) is 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1nc(C(=O)N2CCC3(C2)C(=O)Nc2ccccc23)[nH]c1=O.
What is the InChIKey of 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WTKVEIYKKXMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19-14(23)17-11(18-19)12(21)20-7-6-15(8-20)9-4-2-3-5-10(9)16-13(15)22/h2-5H,6-8H2,1H3,(H,16,22)(H,17,18,23).
What are the key properties of 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 313.32 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methyl-5-oxo-4H-1,2,4-triazole-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157015175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).