5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one

C17H23N5O2 — CID 53300785

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
SMILESCOCCN1C(=O)CCC1(C)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C17H23N5O2/c1-12-6-5-7-13(2)15(12)22-16(18-19-20-22)17(3)9-8-14(23)21(17)10-11-24-4/h5-7H,8-11H2,1-4H3
InChIKeyMTQXPRHTMWPYSN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds5

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one (PubChem CID 53300785) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
PubChem CID53300785
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
SMILESCOCCN1C(=O)CCC1(C)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C17H23N5O2/c1-12-6-5-7-13(2)15(12)22-16(18-19-20-22)17(3)9-8-14(23)21(17)10-11-24-4/h5-7H,8-11H2,1-4H3
InChIKeyMTQXPRHTMWPYSN-UHFFFAOYSA-N
XLogP1.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 53300746
1-Cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300791
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300742
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300747
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300744
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300758
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300782
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53300784
1-(Cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300787
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300789
2-methoxy-N-methyl-N-[1-(1-phenyl-1H-tetrazol-5-yl)cyclohexyl]acetamide
CID 3516136
4-{2-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]butan-2-yl}morpholine
CID 3093131

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one (CID 53300785) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one is COCCN1C(=O)CCC1(C)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
The InChIKey is MTQXPRHTMWPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-6-5-7-13(2)15(12)22-16(18-19-20-22)17(3)9-8-14(23)21(17)10-11-24-4/h5-7H,8-11H2,1-4H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).