5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one

C16H18N6O2 — CID 167969885

IUPAC5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCC(CCC(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)N1
InChIInChI=1S/C16H18N6O2/c23-14-5-2-12(17-14)3-6-15(24)22-8-7-10-9-11(1-4-13(10)22)16-18-20-21-19-16/h1,4,9,12H,2-3,5-8H2,(H,17,23)(H,18,19,20,21)
InChIKeyKZTQDRBTXJHNSB-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.81
Rot. Bonds4

About 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one

5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one (PubChem CID 167969885) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one
PubChem CID167969885
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCC(CCC(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)N1
InChIInChI=1S/C16H18N6O2/c23-14-5-2-12(17-14)3-6-15(24)22-8-7-10-9-11(1-4-13(10)22)16-18-20-21-19-16/h1,4,9,12H,2-3,5-8H2,(H,17,23)(H,18,19,20,21)
InChIKeyKZTQDRBTXJHNSB-UHFFFAOYSA-N
XLogP0.81
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(5-oxopyrrolidin-2-yl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 107530424
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
1-methyl-6-(2H-tetrazol-5-yl)-2,3-dihydroindole
CID 121385737
1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one
CID 155962221
1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63952299
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 42910412
5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742298
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 50789486
N-methyl-5-[6-[1-[3-[(2R)-5-oxopyrrolidin-2-yl]propanoyl]piperidin-4-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 95834079
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one (CID 167969885) is 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one is O=C1CCC(CCC(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)N1.
What is the InChIKey of 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is KZTQDRBTXJHNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-14-5-2-12(17-14)3-6-15(24)22-8-7-10-9-11(1-4-13(10)22)16-18-20-21-19-16/h1,4,9,12H,2-3,5-8H2,(H,17,23)(H,18,19,20,21).
What are the key properties of 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one?
5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 326.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-[5-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 167969885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).