2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone

C11H19N5O — CID 107062030

IUPAC2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2nnn(C)n2)CCNC1
InChIInChI=1S/C11H19N5O/c1-3-4-11(5-6-12-8-11)9(17)7-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3
InChIKeyMOACWLBFRKTION-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.10
Rot. Bonds5

About 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 107062030) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID107062030
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2nnn(C)n2)CCNC1
InChIInChI=1S/C11H19N5O/c1-3-4-11(5-6-12-8-11)9(17)7-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3
InChIKeyMOACWLBFRKTION-UHFFFAOYSA-N
XLogP0.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.10
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-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone (CID 107062030) is 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone is CCCC1(C(=O)Cc2nnn(C)n2)CCNC1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is MOACWLBFRKTION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-4-11(5-6-12-8-11)9(17)7-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of 0.10, 5 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-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 107062030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).