1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one

C20H21N5O2 — CID 53383716

IUPAC1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(-n2nnnc2C2(C)CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c1-20(13-12-18(26)24(20)14-15-6-4-3-5-7-15)19-21-22-23-25(19)16-8-10-17(27-2)11-9-16/h3-11H,12-14H2,1-2H3
InChIKeyNOXSXKBAOWBNLV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.71
Rot. Bonds5

About 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one

1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one (PubChem CID 53383716) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
PubChem CID53383716
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(-n2nnnc2C2(C)CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H21N5O2/c1-20(13-12-18(26)24(20)14-15-6-4-3-5-7-15)19-21-22-23-25(19)16-8-10-17(27-2)11-9-16/h3-11H,12-14H2,1-2H3
InChIKeyNOXSXKBAOWBNLV-UHFFFAOYSA-N
XLogP2.71
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one (CID 53383716) is 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one is COc1ccc(-n2nnnc2C2(C)CCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The InChIKey is NOXSXKBAOWBNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-20(13-12-18(26)24(20)14-15-6-4-3-5-7-15)19-21-22-23-25(19)16-8-10-17(27-2)11-9-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53383716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).