4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one

C5H7N5O2 — CID 168704177

IUPAC4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nn[nH]n1
InChIInChI=1S/C5H7N5O2/c11-3-1-4(12)10(2-3)5-6-8-9-7-5/h3,11H,1-2H2,(H,6,7,8,9)
InChIKeyPTIHVNTZCQBQSF-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.70
Rot. Bonds1

About 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one

4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one (PubChem CID 168704177) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one
PubChem CID168704177
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nn[nH]n1
InChIInChI=1S/C5H7N5O2/c11-3-1-4(12)10(2-3)5-6-8-9-7-5/h3,11H,1-2H2,(H,6,7,8,9)
InChIKeyPTIHVNTZCQBQSF-UHFFFAOYSA-N
XLogP-1.70
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one (CID 168704177) is 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one is O=C1CC(O)CN1c1nn[nH]n1.
What is the InChIKey of 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one?
The InChIKey is PTIHVNTZCQBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c11-3-1-4(12)10(2-3)5-6-8-9-7-5/h3,11H,1-2H2,(H,6,7,8,9).
What are the key properties of 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one?
4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one has a molecular weight of 169.14 g/mol, XLogP of -1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168704177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).