1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one

C11H13N5O2S — CID 37266255

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)N1CCCC1
InChIInChI=1S/C11H13N5O2S/c17-9(14-5-1-2-6-14)8-15-11(18)16(13-12-15)10-4-3-7-19-10/h3-4,7H,1-2,5-6,8H2
InChIKeyOIQWGUJCXCBSDU-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.11
Rot. Bonds3

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one

1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one (PubChem CID 37266255) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one
PubChem CID37266255
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)N1CCCC1
InChIInChI=1S/C11H13N5O2S/c17-9(14-5-1-2-6-14)8-15-11(18)16(13-12-15)10-4-3-7-19-10/h3-4,7H,1-2,5-6,8H2
InChIKeyOIQWGUJCXCBSDU-UHFFFAOYSA-N
XLogP0.11
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one (CID 37266255) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one is O=C(Cn1nnn(-c2cccs2)c1=O)N1CCCC1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one?
The InChIKey is OIQWGUJCXCBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c17-9(14-5-1-2-6-14)8-15-11(18)16(13-12-15)10-4-3-7-19-10/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one?
1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one has a molecular weight of 279.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-thiophen-2-yltetrazol-5-one is sourced from PubChem (CID 37266255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).