(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one

C10H17NO — CID 131135580

IUPAC(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
SMILESCCN1[C@@H](C)[C@@H]2CCCC(=O)[C@@H]21
InChIInChI=1S/C10H17NO/c1-3-11-7(2)8-5-4-6-9(12)10(8)11/h7-8,10H,3-6H2,1-2H3/t7-,8-,10+/m0/s1
InChIKeyTYLOKEPZRUEMLB-OYNCUSHFSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds1

About (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one

(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one (PubChem CID 131135580) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one.

Molecular Properties

Compound Name(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
PubChem CID131135580
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
SMILESCCN1[C@@H](C)[C@@H]2CCCC(=O)[C@@H]21
InChIInChI=1S/C10H17NO/c1-3-11-7(2)8-5-4-6-9(12)10(8)11/h7-8,10H,3-6H2,1-2H3/t7-,8-,10+/m0/s1
InChIKeyTYLOKEPZRUEMLB-OYNCUSHFSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6R,8R)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 130753076
1-(2-Methyl-2-azabicyclo[4.2.0]octan-3-yl)ethanone
CID 58849808
7-Ethyl-7-azabicyclo[4.2.0]octan-4-one
CID 91187208
1-Cyclohexyl-2-(1-propan-2-ylazetidin-3-yl)ethanone
CID 153162082
(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one
CID 156552540
1-Cyclohexyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
CID 159845562
Cyclopentyl-(1-methylazetidin-2-yl)methanone
CID 84064689
Cyclohexyl-(1-methylazetidin-2-yl)methanone
CID 84065401
1-[2-(Cyclohexanecarbonyl)azetidin-1-yl]ethanone
CID 84067653
2-(Azocan-1-yl)-1-cyclohexylethanone
CID 104749887
1-Cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
1-Cyclohexyl-2-[ethyl(propan-2-yl)amino]ethanone
CID 104749987

Frequently Asked Questions

What is the IUPAC name of (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one?
The IUPAC name of (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one (CID 131135580) is (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one.
What is the SMILES notation for (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one?
The canonical SMILES for (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one is CCN1[C@@H](C)[C@@H]2CCCC(=O)[C@@H]21.
What is the InChIKey of (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one?
The InChIKey is TYLOKEPZRUEMLB-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-11-7(2)8-5-4-6-9(12)10(8)11/h7-8,10H,3-6H2,1-2H3/t7-,8-,10+/m0/s1.
What are the key properties of (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one?
(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one is sourced from PubChem (CID 131135580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).