1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one

C9H15N5O — CID 107062182

IUPAC1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one
SMILESCn1nnc(CC(=O)CC2CCNC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)5-8(15)4-7-2-3-10-6-7/h7,10H,2-6H2,1H3
InChIKeyAEJNIMIPEPBTAS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.68
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one

1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one (PubChem CID 107062182) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one
PubChem CID107062182
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one
SMILESCn1nnc(CC(=O)CC2CCNC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)5-8(15)4-7-2-3-10-6-7/h7,10H,2-6H2,1H3
InChIKeyAEJNIMIPEPBTAS-UHFFFAOYSA-N
XLogP-0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one (CID 107062182) is 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one is Cn1nnc(CC(=O)CC2CCNC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one?
The InChIKey is AEJNIMIPEPBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-12-9(11-13-14)5-8(15)4-7-2-3-10-6-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one?
1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one is sourced from PubChem (CID 107062182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).