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

C9H14N4O2 — CID 107047316

IUPAC1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(C)CCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-9(4-3-5-15-9)7(14)6-8-10-12-13(2)11-8/h3-6H2,1-2H3
InChIKeyODGCQXBJIZOXMT-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.11
Rot. Bonds3

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

1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047316) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047316
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(C)CCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-9(4-3-5-15-9)7(14)6-8-10-12-13(2)11-8/h3-6H2,1-2H3
InChIKeyODGCQXBJIZOXMT-UHFFFAOYSA-N
XLogP-0.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047316) is 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(C)CCCO2)n1.
What is the InChIKey of 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ODGCQXBJIZOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(4-3-5-15-9)7(14)6-8-10-12-13(2)11-8/h3-6H2,1-2H3.
What are the key properties of 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).