ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate

C9H13N5O3 — CID 50879826

IUPACethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CC(=O)N(c2nnn(C)n2)C1
InChIInChI=1S/C9H13N5O3/c1-3-17-8(16)6-4-7(15)14(5-6)9-10-12-13(2)11-9/h6H,3-5H2,1-2H3
InChIKeyGZEMXMOEAWNQQC-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.87
Rot. Bonds3

About ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate

ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 50879826) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID50879826
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Nameethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CC(=O)N(c2nnn(C)n2)C1
InChIInChI=1S/C9H13N5O3/c1-3-17-8(16)6-4-7(15)14(5-6)9-10-12-13(2)11-9/h6H,3-5H2,1-2H3
InChIKeyGZEMXMOEAWNQQC-UHFFFAOYSA-N
XLogP-0.87
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168688452
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
ethyl (3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075693
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
(3R)-5-oxo-1-(2-propyltetrazol-5-yl)pyrrolidine-3-carbonyl chloride
CID 94068617
ethyl (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075680
ethyl 1-(5-ethoxycarbonyl-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874034
ethyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168696251
ethyl 1-(4-ethoxycarbonyl-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873676
ethyl (3S)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075793
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate (CID 50879826) is ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate is CCOC(=O)C1CC(=O)N(c2nnn(C)n2)C1.
What is the InChIKey of ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GZEMXMOEAWNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-3-17-8(16)6-4-7(15)14(5-6)9-10-12-13(2)11-9/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 239.23 g/mol, XLogP of -0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 50879826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).