2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone

C8H14N2O2 — CID 121202011

IUPAC2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCNCC(=O)N1CC2CC1CO2
InChIInChI=1S/C8H14N2O2/c1-9-3-8(11)10-4-7-2-6(10)5-12-7/h6-7,9H,2-5H2,1H3
InChIKeyVSVHYNQMTQQHRL-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.79
Rot. Bonds2

About 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone

2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone (PubChem CID 121202011) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
PubChem CID121202011
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCNCC(=O)N1CC2CC1CO2
InChIInChI=1S/C8H14N2O2/c1-9-3-8(11)10-4-7-2-6(10)5-12-7/h6-7,9H,2-5H2,1H3
InChIKeyVSVHYNQMTQQHRL-UHFFFAOYSA-N
XLogP-0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone (CID 121202011) is 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone is CNCC(=O)N1CC2CC1CO2.
What is the InChIKey of 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The InChIKey is VSVHYNQMTQQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-3-8(11)10-4-7-2-6(10)5-12-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone has a molecular weight of 170.21 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone is sourced from PubChem (CID 121202011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).