2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C13H21N5O — CID 107047241

IUPAC2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCn1nnc(CC(=O)C2(N3CCCC3)CCCC2)n1
InChIInChI=1S/C13H21N5O/c1-17-15-12(14-16-17)10-11(19)13(6-2-3-7-13)18-8-4-5-9-18/h2-10H2,1H3
InChIKeyQFYATLNCAPVCRQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.73
Rot. Bonds4

About 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 107047241) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID107047241
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCn1nnc(CC(=O)C2(N3CCCC3)CCCC2)n1
InChIInChI=1S/C13H21N5O/c1-17-15-12(14-16-17)10-11(19)13(6-2-3-7-13)18-8-4-5-9-18/h2-10H2,1H3
InChIKeyQFYATLNCAPVCRQ-UHFFFAOYSA-N
XLogP0.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 107047241) is 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is Cn1nnc(CC(=O)C2(N3CCCC3)CCCC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is QFYATLNCAPVCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-15-12(14-16-17)10-11(19)13(6-2-3-7-13)18-8-4-5-9-18/h2-10H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 107047241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).