3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one

C7H11N5O — CID 107061690

IUPAC3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one
SMILESCn1nnc(CC2CCNC2=O)n1
InChIInChI=1S/C7H11N5O/c1-12-10-6(9-11-12)4-5-2-3-8-7(5)13/h5H,2-4H2,1H3,(H,8,13)
InChIKeyCQTJMLYVSHOYAG-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.11
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one

3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 107061690) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID107061690
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one
SMILESCn1nnc(CC2CCNC2=O)n1
InChIInChI=1S/C7H11N5O/c1-12-10-6(9-11-12)4-5-2-3-8-7(5)13/h5H,2-4H2,1H3,(H,8,13)
InChIKeyCQTJMLYVSHOYAG-UHFFFAOYSA-N
XLogP-1.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one (CID 107061690) is 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one is Cn1nnc(CC2CCNC2=O)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is CQTJMLYVSHOYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-10-6(9-11-12)4-5-2-3-8-7(5)13/h5H,2-4H2,1H3,(H,8,13).
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one?
3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 181.20 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107061690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).