2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone

C8H13N5O — CID 107062001

IUPAC2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone
SMILESCn1nnc(CC(=O)C2CCNC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)4-7(14)6-2-3-9-5-6/h6,9H,2-5H2,1H3
InChIKeySBQCAZNVQLUFMO-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.07
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone

2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone (PubChem CID 107062001) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone
PubChem CID107062001
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone
SMILESCn1nnc(CC(=O)C2CCNC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)4-7(14)6-2-3-9-5-6/h6,9H,2-5H2,1H3
InChIKeySBQCAZNVQLUFMO-UHFFFAOYSA-N
XLogP-1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone (CID 107062001) is 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone is Cn1nnc(CC(=O)C2CCNC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone?
The InChIKey is SBQCAZNVQLUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-8(10-12-13)4-7(14)6-2-3-9-5-6/h6,9H,2-5H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone?
2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone has a molecular weight of 195.23 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 107062001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).