1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one

C16H20N6O — CID 155962221

IUPAC1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one
SMILESCC(C)N1CCC(N2CCc3ccc(-c4nn[nH]n4)cc32)C1=O
InChIInChI=1S/C16H20N6O/c1-10(2)21-8-6-13(16(21)23)22-7-5-11-3-4-12(9-14(11)22)15-17-19-20-18-15/h3-4,9-10,13H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyRRVZFMLAWWRWCR-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.24
Rot. Bonds3

About 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one

1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one (PubChem CID 155962221) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one
PubChem CID155962221
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one
SMILESCC(C)N1CCC(N2CCc3ccc(-c4nn[nH]n4)cc32)C1=O
InChIInChI=1S/C16H20N6O/c1-10(2)21-8-6-13(16(21)23)22-7-5-11-3-4-12(9-14(11)22)15-17-19-20-18-15/h3-4,9-10,13H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyRRVZFMLAWWRWCR-UHFFFAOYSA-N
XLogP1.24
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one (CID 155962221) is 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one is CC(C)N1CCC(N2CCc3ccc(-c4nn[nH]n4)cc32)C1=O.
What is the InChIKey of 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one?
The InChIKey is RRVZFMLAWWRWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10(2)21-8-6-13(16(21)23)22-7-5-11-3-4-12(9-14(11)22)15-17-19-20-18-15/h3-4,9-10,13H,5-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one?
1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one has a molecular weight of 312.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[6-(2H-tetrazol-5-yl)-2,3-dihydroindol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 155962221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).