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

C12H20N2O — CID 22985131

IUPAC3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CC2)C1=O
InChIInChI=1S/C12H20N2O/c1-13-11-5-9-4-10(9)7-14(12(11)15)6-8-2-3-8/h8-11,13H,2-7H2,1H3
InChIKeyLPOSTYUVOHTDQE-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.85
Rot. Bonds3

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

3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22985131) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22985131
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CC2)C1=O
InChIInChI=1S/C12H20N2O/c1-13-11-5-9-4-10(9)7-14(12(11)15)6-8-2-3-8/h8-11,13H,2-7H2,1H3
InChIKeyLPOSTYUVOHTDQE-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,1-dioxothian-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985082
3-cyclopropyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985130
5-(methylamino)-3-(pyrazin-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 20589857
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-(cyclopropylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984848
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
4-(cyclopentylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985037
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 20589983
4-(cyclopentylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 22985036
1-[(1,1-dioxothiolan-3-yl)methyl]-5-methyl-3-(methylamino)azepan-2-one
CID 20589682

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 22985131) is 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is LPOSTYUVOHTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-11-5-9-4-10(9)7-14(12(11)15)6-8-2-3-8/h8-11,13H,2-7H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 208.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22985131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).