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

C11H20N2O — CID 22984894

IUPAC5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(C(C)C)C1=O
InChIInChI=1S/C11H20N2O/c1-7(2)13-6-9-4-8(9)5-10(12-3)11(13)14/h7-10,12H,4-6H2,1-3H3
InChIKeyPEQSTALODNRODE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds2

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

5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984894) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984894
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(C(C)C)C1=O
InChIInChI=1S/C11H20N2O/c1-7(2)13-6-9-4-8(9)5-10(12-3)11(13)14/h7-10,12H,4-6H2,1-3H3
InChIKeyPEQSTALODNRODE-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
3-[(3-Methylcyclohexyl)amino]-2-azepanone
CID 2846276
Caprolactin A
CID 21773705
Caprolactin B
CID 21773704
N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
CID 110196292
N-(cyclohexylmethyl)-7-oxoazepane-2-carboxamide
CID 110196329
(2S)-5-(4-fluorobutyl)-N-methylazepane-2-carboxamide
CID 58932188
(4S)-4-amino-8,8-difluoro-2-azabicyclo[5.1.0]octan-3-one
CID 124178549
(4S)-4-amino-8,8-difluoro-2-methyl-2-azabicyclo[5.1.0]octan-3-one
CID 140764621
N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide
CID 56643353
7-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728676
6-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728677

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one (CID 22984894) is 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(C(C)C)C1=O.
What is the InChIKey of 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is PEQSTALODNRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)13-6-9-4-8(9)5-10(12-3)11(13)14/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 196.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-propan-2-yl-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).