2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

C10H14N4O2 — CID 107047069

IUPAC2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C10H14N4O2/c1-14-12-10(11-13-14)5-8(15)7-4-6-2-3-9(7)16-6/h6-7,9H,2-5H2,1H3
InChIKeyMRUNANYUBLPSAM-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.11
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (PubChem CID 107047069) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
PubChem CID107047069
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C10H14N4O2/c1-14-12-10(11-13-14)5-8(15)7-4-6-2-3-9(7)16-6/h6-7,9H,2-5H2,1H3
InChIKeyMRUNANYUBLPSAM-UHFFFAOYSA-N
XLogP-0.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
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 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (CID 107047069) is 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is Cn1nnc(CC(=O)C2CC3CCC2O3)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The InChIKey is MRUNANYUBLPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-12-10(11-13-14)5-8(15)7-4-6-2-3-9(7)16-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone has a molecular weight of 222.25 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 2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is sourced from PubChem (CID 107047069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).