3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one

C11H19N5O — CID 107047210

IUPAC3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one
SMILESCn1nnc(CC(=O)C(C)(C)N2CCCC2)n1
InChIInChI=1S/C11H19N5O/c1-11(2,16-6-4-5-7-16)9(17)8-10-12-14-15(3)13-10/h4-8H2,1-3H3
InChIKeyRXDGJFJQVFZLDG-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.20
Rot. Bonds4

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

3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one (PubChem CID 107047210) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one
PubChem CID107047210
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one
SMILESCn1nnc(CC(=O)C(C)(C)N2CCCC2)n1
InChIInChI=1S/C11H19N5O/c1-11(2,16-6-4-5-7-16)9(17)8-10-12-14-15(3)13-10/h4-8H2,1-3H3
InChIKeyRXDGJFJQVFZLDG-UHFFFAOYSA-N
XLogP0.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one (CID 107047210) is 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one is Cn1nnc(CC(=O)C(C)(C)N2CCCC2)n1.
What is the InChIKey of 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one?
The InChIKey is RXDGJFJQVFZLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,16-6-4-5-7-16)9(17)8-10-12-14-15(3)13-10/h4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one?
3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one has a molecular weight of 237.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 107047210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).