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

C9H14N4O2 — CID 107063298

IUPAC1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CC(C(=O)Cc2nnn(C)n2)CO1
InChIInChI=1S/C9H14N4O2/c1-6-3-7(5-15-6)8(14)4-9-10-12-13(2)11-9/h6-7H,3-5H2,1-2H3
InChIKeyWBWOKIYUVQSLRO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds3

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

1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063298) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063298
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CC(C(=O)Cc2nnn(C)n2)CO1
InChIInChI=1S/C9H14N4O2/c1-6-3-7(5-15-6)8(14)4-9-10-12-13(2)11-9/h6-7H,3-5H2,1-2H3
InChIKeyWBWOKIYUVQSLRO-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Ethyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 105743941
3-[(2-Methyltetrazol-5-yl)methyl]oxan-4-one
CID 107044558
1-(2-Methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
CID 107046861
2-(2-Methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 107047069
2-(2-Methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanone
CID 107047127
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
2-(2-Methyltetrazol-5-yl)-1-(oxan-3-yl)ethanone
CID 107047134
1-(2-Methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 107047444
2-(2-Methyltetrazol-5-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
CID 107063194
1-(3-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063208
5-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107063425
1-(2-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063490

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063298) is 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is CC1CC(C(=O)Cc2nnn(C)n2)CO1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is WBWOKIYUVQSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-3-7(5-15-6)8(14)4-9-10-12-13(2)11-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).