4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one

C16H18N4O2 — CID 99701637

IUPAC4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=C(Cn1cn[nH]c1=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H18N4O2/c21-14(9-19-11-17-18-15(19)22)20-10-16(7-3-4-8-16)12-5-1-2-6-13(12)20/h1-2,5-6,11H,3-4,7-10H2,(H,18,22)
InChIKeyNSCMWVIVAKYJRK-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.43
Rot. Bonds2

About 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one

4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one (PubChem CID 99701637) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one
PubChem CID99701637
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one
SMILESO=C(Cn1cn[nH]c1=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C16H18N4O2/c21-14(9-19-11-17-18-15(19)22)20-10-16(7-3-4-8-16)12-5-1-2-6-13(12)20/h1-2,5-6,11H,3-4,7-10H2,(H,18,22)
InChIKeyNSCMWVIVAKYJRK-UHFFFAOYSA-N
XLogP1.43
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one (CID 99701637) is 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one is O=C(Cn1cn[nH]c1=O)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is NSCMWVIVAKYJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14(9-19-11-17-18-15(19)22)20-10-16(7-3-4-8-16)12-5-1-2-6-13(12)20/h1-2,5-6,11H,3-4,7-10H2,(H,18,22).
What are the key properties of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one?
4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 298.35 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 99701637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).