1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone

C9H15N5O2 — CID 35331318

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H](C)O1
InChIInChI=1S/C9H15N5O2/c1-7-3-13(4-8(2)16-7)9(15)5-14-6-10-11-12-14/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyQNUBSPLRGUYUAU-HTQZYQBOSA-N
MW225.25 g/mol
LogP-0.69
Rot. Bonds2

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 35331318) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID35331318
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H](C)O1
InChIInChI=1S/C9H15N5O2/c1-7-3-13(4-8(2)16-7)9(15)5-14-6-10-11-12-14/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyQNUBSPLRGUYUAU-HTQZYQBOSA-N
XLogP-0.69
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone (CID 35331318) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone is C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is QNUBSPLRGUYUAU-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-7-3-13(4-8(2)16-7)9(15)5-14-6-10-11-12-14/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 225.25 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 35331318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).