5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one

C13H23N5O2 — CID 53300806

IUPAC5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCOC
InChIInChI=1S/C13H23N5O2/c1-4-5-8-18-12(14-15-16-18)13(2)7-6-11(19)17(13)9-10-20-3/h4-10H2,1-3H3
InChIKeyNCHCZPAEVGDHAZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.96
Rot. Bonds7

About 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one (PubChem CID 53300806) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
PubChem CID53300806
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCOC
InChIInChI=1S/C13H23N5O2/c1-4-5-8-18-12(14-15-16-18)13(2)7-6-11(19)17(13)9-10-20-3/h4-10H2,1-3H3
InChIKeyNCHCZPAEVGDHAZ-UHFFFAOYSA-N
XLogP0.96
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-Butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300810
5-(1-Butyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53300805
5-(1-Butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one
CID 53300808
5-(1-Butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
CID 53300811
1-Cyclopentanecarbonyl-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]-3-(pyrrolidin-1-YL)piperidine
CID 132339445
1-Cyclohexanecarbonyl-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]-N,N-dimethylpyrrolidin-3-amine
CID 132339532
3-Cyclopentyl-1-[3-(dimethylamino)-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]pyrrolidin-1-YL]propan-1-one
CID 132339556
2-Cyclohexyl-1-[3-(dimethylamino)-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]pyrrolidin-1-YL]ethan-1-one
CID 132339558
3-[1-(2-Methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]-N,N-dimethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-amine
CID 132341617
1-[3-(Dimethylamino)-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]pyrrolidin-1-YL]-2-ethylbutan-1-one
CID 132341619
3-[1-(2-Methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]-N,N-dimethyl-1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-amine
CID 132341621
2-Cyclopropyl-1-[3-(dimethylamino)-3-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-YL]pyrrolidin-1-YL]ethan-1-one
CID 132341623

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one (CID 53300806) is 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1CCOC.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
The InChIKey is NCHCZPAEVGDHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-5-8-18-12(14-15-16-18)13(2)7-6-11(19)17(13)9-10-20-3/h4-10H2,1-3H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).