4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one

C6H9N5O2 — CID 168702817

IUPAC4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
SMILESCn1nnc(N2CC(O)CC2=O)n1
InChIInChI=1S/C6H9N5O2/c1-10-8-6(7-9-10)11-3-4(12)2-5(11)13/h4,12H,2-3H2,1H3
InChIKeySPNHEMYODCZOBF-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.69
Rot. Bonds1

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

4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one (PubChem CID 168702817) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
PubChem CID168702817
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
SMILESCn1nnc(N2CC(O)CC2=O)n1
InChIInChI=1S/C6H9N5O2/c1-10-8-6(7-9-10)11-3-4(12)2-5(11)13/h4,12H,2-3H2,1H3
InChIKeySPNHEMYODCZOBF-UHFFFAOYSA-N
XLogP-1.69
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Hydroxy-1-[2-(tetrazol-2-yl)ethyl]pyrrolidin-2-one
CID 127013403
4-Hydroxy-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168702408
1-(5-Amino-1-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702805
1-(5-Amino-2-methyl-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702806
4-Hydroxy-1-(1-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702818
4-hydroxy-1-(2H-tetrazol-5-yl)pyrrolidin-2-one
CID 168704177
4-Hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one
CID 168704178

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one (CID 168702817) is 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one is Cn1nnc(N2CC(O)CC2=O)n1.
What is the InChIKey of 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
The InChIKey is SPNHEMYODCZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-10-8-6(7-9-10)11-3-4(12)2-5(11)13/h4,12H,2-3H2,1H3.
What are the key properties of 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one has a molecular weight of 183.17 g/mol, XLogP of -1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168702817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).