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

C11H18N2O — CID 22985130

IUPAC3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(C2CC2)C1=O
InChIInChI=1S/C11H18N2O/c1-12-10-5-7-4-8(7)6-13(11(10)14)9-2-3-9/h7-10,12H,2-6H2,1H3
InChIKeyRJYAOLVTLZYWHZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds2

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

3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22985130) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22985130
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(C2CC2)C1=O
InChIInChI=1S/C11H18N2O/c1-12-10-5-7-4-8(7)6-13(11(10)14)9-2-3-9/h7-10,12H,2-6H2,1H3
InChIKeyRJYAOLVTLZYWHZ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohex-3-en-1-yl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985090
3-cyclohex-2-en-1-yl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985089
1-cyclohexyl-6-methyl-3-(methylamino)azepan-2-one
CID 22984811
3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985131
1-cycloheptyl-6-methyl-3-(methylamino)azepan-2-one
CID 22984794
1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one
CID 22984792
3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 20589983
3-[(1,1-dioxothian-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985082
4-cyclopropyl-6-(methylamino)-1,4-thiazepan-5-one
CID 22985041
5-(methylamino)-3-(pyrazin-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 20589857
5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one
CID 20589860
2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
CID 23554994

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 22985130) is 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is RJYAOLVTLZYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-10-5-7-4-8(7)6-13(11(10)14)9-2-3-9/h7-10,12H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 194.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22985130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).