ethyl 1-cyclopentyltetrazole-5-carboxylate

C9H14N4O2 — CID 79317290

IUPACethyl 1-cyclopentyltetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C1CCCC1
InChIInChI=1S/C9H14N4O2/c1-2-15-9(14)8-10-11-12-13(8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyPLISZJHRYJCMLN-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.96
Rot. Bonds3

About ethyl 1-cyclopentyltetrazole-5-carboxylate

ethyl 1-cyclopentyltetrazole-5-carboxylate (PubChem CID 79317290) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is ethyl 1-cyclopentyltetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentyltetrazole-5-carboxylate
PubChem CID79317290
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Nameethyl 1-cyclopentyltetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C1CCCC1
InChIInChI=1S/C9H14N4O2/c1-2-15-9(14)8-10-11-12-13(8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyPLISZJHRYJCMLN-UHFFFAOYSA-N
XLogP0.96
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentyltetrazole-5-carboxylate?
The IUPAC name of ethyl 1-cyclopentyltetrazole-5-carboxylate (CID 79317290) is ethyl 1-cyclopentyltetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentyltetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-cyclopentyltetrazole-5-carboxylate is CCOC(=O)c1nnnn1C1CCCC1.
What is the InChIKey of ethyl 1-cyclopentyltetrazole-5-carboxylate?
The InChIKey is PLISZJHRYJCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-15-9(14)8-10-11-12-13(8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-cyclopentyltetrazole-5-carboxylate?
ethyl 1-cyclopentyltetrazole-5-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentyltetrazole-5-carboxylate is sourced from PubChem (CID 79317290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).