methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate

C8H13N5O2 — CID 78949955

IUPACmethyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nnnn2C)C1
InChIInChI=1S/C8H13N5O2/c1-12-8(9-10-11-12)13-4-3-6(5-13)7(14)15-2/h6H,3-5H2,1-2H3
InChIKeyXNHIWKWEAMUAHA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.79
Rot. Bonds2

About methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate

methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate (PubChem CID 78949955) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
PubChem CID78949955
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Namemethyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nnnn2C)C1
InChIInChI=1S/C8H13N5O2/c1-12-8(9-10-11-12)13-4-3-6(5-13)7(14)15-2/h6H,3-5H2,1-2H3
InChIKeyXNHIWKWEAMUAHA-UHFFFAOYSA-N
XLogP-0.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
CID 115538236
methyl 1-(4-bromophenyl)pyrrolidine-3-carboxylate
CID 83981693
tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
CID 67267284
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
1-(1-methyltetrazol-5-yl)azetidin-3-amine
CID 63760384
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
CID 154789313
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
3-methyl-1-(1-methyltetrazol-5-yl)piperazine
CID 63152593

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate (CID 78949955) is methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nnnn2C)C1.
What is the InChIKey of methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate?
The InChIKey is XNHIWKWEAMUAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-12-8(9-10-11-12)13-4-3-6(5-13)7(14)15-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate?
methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78949955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).