5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

C21H30N6O2 — CID 53300789

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C21H30N6O2/c1-16-6-4-7-17(2)19(16)27-20(22-23-24-27)21(3)9-8-18(28)26(21)11-5-10-25-12-14-29-15-13-25/h4,6-7H,5,8-15H2,1-3H3
InChIKeyOWGOPZDFARHDBB-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.84
Rot. Bonds6

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 53300789) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
PubChem CID53300789
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C21H30N6O2/c1-16-6-4-7-17(2)19(16)27-20(22-23-24-27)21(3)9-8-18(28)26(21)11-5-10-25-12-14-29-15-13-25/h4,6-7H,5,8-15H2,1-3H3
InChIKeyOWGOPZDFARHDBB-UHFFFAOYSA-N
XLogP1.84
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-{[(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-(3-morpholin-4-yl-propyl)-amino]-methyl}-8-methyl-1H-quinolin-2-one
CID 650537
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-morpholin-4-yl-methyl]-8-methyl-1H-quinolin-2-one
CID 653718
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
3-{[{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-(2-morpholin-4-yl-ethyl)-amino]-methyl}-8-methyl-1H-quinolin-2-one
CID 3204404
3-{[{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-propyl}-(3-morpholin-4-yl-propyl)-amino]-methyl}-8-methyl-1H-quinolin-2-one
CID 3204679
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (CID 53300789) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is OWGOPZDFARHDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-16-6-4-7-17(2)19(16)27-20(22-23-24-27)21(3)9-8-18(28)26(21)11-5-10-25-12-14-29-15-13-25/h4,6-7H,5,8-15H2,1-3H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 398.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 53300789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).