5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one

C11H18N2O2 — CID 22984929

IUPAC5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CO2)C1=O
InChIInChI=1S/C11H18N2O2/c1-12-10-3-7-2-8(7)4-13(11(10)14)5-9-6-15-9/h7-10,12H,2-6H2,1H3
InChIKeyLAYDAPKMKRCVQY-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.16
Rot. Bonds3

About 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one

5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984929) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984929
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CO2)C1=O
InChIInChI=1S/C11H18N2O2/c1-12-10-3-7-2-8(7)4-13(11(10)14)5-9-6-15-9/h7-10,12H,2-6H2,1H3
InChIKeyLAYDAPKMKRCVQY-UHFFFAOYSA-N
XLogP-0.16
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984929) is 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2CO2)C1=O.
What is the InChIKey of 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is LAYDAPKMKRCVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-10-3-7-2-8(7)4-13(11(10)14)5-9-6-15-9/h7-10,12H,2-6H2,1H3.
What are the key properties of 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 210.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).