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

C11H18N2O2 — CID 22984891

IUPAC5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC(C)=O)C1=O
InChIInChI=1S/C11H18N2O2/c1-7(14)5-13-6-9-3-8(9)4-10(12-2)11(13)15/h8-10,12H,3-6H2,1-2H3
InChIKeyFKILJTYQHZUGND-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.03
Rot. Bonds3

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

5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984891) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984891
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC(C)=O)C1=O
InChIInChI=1S/C11H18N2O2/c1-7(14)5-13-6-9-3-8(9)4-10(12-2)11(13)15/h8-10,12H,3-6H2,1-2H3
InChIKeyFKILJTYQHZUGND-UHFFFAOYSA-N
XLogP0.03
TPSA49.41 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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[6-(Cyclopropylmethyl)-2-oxoazepan-1-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984891) is 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC(C)=O)C1=O.
What is the InChIKey of 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is FKILJTYQHZUGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(14)5-13-6-9-3-8(9)4-10(12-2)11(13)15/h8-10,12H,3-6H2,1-2H3.
What are the key properties of 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(2-oxopropyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).