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

C10H18N2O — CID 22984892

IUPAC3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCCN1CC2CC2CC(NC)C1=O
InChIInChI=1S/C10H18N2O/c1-3-12-6-8-4-7(8)5-9(11-2)10(12)13/h7-9,11H,3-6H2,1-2H3
InChIKeyHDVNTMXNUHDTDI-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds2

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

3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984892) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984892
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCCN1CC2CC2CC(NC)C1=O
InChIInChI=1S/C10H18N2O/c1-3-12-6-8-4-7(8)5-9(11-2)10(12)13/h7-9,11H,3-6H2,1-2H3
InChIKeyHDVNTMXNUHDTDI-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
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 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 22984892) is 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CCN1CC2CC2CC(NC)C1=O.
What is the InChIKey of 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is HDVNTMXNUHDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12-6-8-4-7(8)5-9(11-2)10(12)13/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 182.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).