1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone

C12H20N4O — CID 107047347

IUPAC1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCCCCC2)n1
InChIInChI=1S/C12H20N4O/c1-16-14-12(13-15-16)9-11(17)10-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3
InChIKeyIEEMMIDVUFJDIK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.68
Rot. Bonds3

About 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone

1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047347) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047347
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCCCCC2)n1
InChIInChI=1S/C12H20N4O/c1-16-14-12(13-15-16)9-11(17)10-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3
InChIKeyIEEMMIDVUFJDIK-UHFFFAOYSA-N
XLogP1.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone (CID 107047347) is 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCCCCCC2)n1.
What is the InChIKey of 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is IEEMMIDVUFJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-14-12(13-15-16)9-11(17)10-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3.
What are the key properties of 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone?
1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).