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

C9H12N4O2 — CID 130993454

IUPAC(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCn1nnc(C(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C9H12N4O2/c1-13-11-9(10-12-13)8(14)6-4-5-2-3-7(6)15-5/h5-7H,2-4H2,1H3
InChIKeyWVXLJWVLDKSTFJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.04
Rot. Bonds2

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

(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 130993454) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID130993454
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCn1nnc(C(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C9H12N4O2/c1-13-11-9(10-12-13)8(14)6-4-5-2-3-7(6)15-5/h5-7H,2-4H2,1H3
InChIKeyWVXLJWVLDKSTFJ-UHFFFAOYSA-N
XLogP-0.04
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 130993454) is (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is Cn1nnc(C(=O)C2CC3CCC2O3)n1.
What is the InChIKey of (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is WVXLJWVLDKSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13-11-9(10-12-13)8(14)6-4-5-2-3-7(6)15-5/h5-7H,2-4H2,1H3.
What are the key properties of (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
(2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 208.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltetrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 130993454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).