(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate

C13H22N4O2 — CID 55397176

IUPAC(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate
SMILESCCCn1nnnc1COC(=O)CCC1CCCC1
InChIInChI=1S/C13H22N4O2/c1-2-9-17-12(14-15-16-17)10-19-13(18)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyXHQKMJHIIHTZMO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.10
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate

(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate (PubChem CID 55397176) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate
PubChem CID55397176
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate
SMILESCCCn1nnnc1COC(=O)CCC1CCCC1
InChIInChI=1S/C13H22N4O2/c1-2-9-17-12(14-15-16-17)10-19-13(18)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyXHQKMJHIIHTZMO-UHFFFAOYSA-N
XLogP2.10
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate (CID 55397176) is (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate is CCCn1nnnc1COC(=O)CCC1CCCC1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate?
The InChIKey is XHQKMJHIIHTZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-9-17-12(14-15-16-17)10-19-13(18)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate?
(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate is sourced from PubChem (CID 55397176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).