7-ethyl-7-azabicyclo[4.2.0]octan-4-one

C9H15NO — CID 91187208

IUPAC7-ethyl-7-azabicyclo[4.2.0]octan-4-one
SMILESCCN1CC2CCC(=O)CC21
InChIInChI=1S/C9H15NO/c1-2-10-6-7-3-4-8(11)5-9(7)10/h7,9H,2-6H2,1H3
InChIKeyIIVWLONSXMGBMW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.06
Rot. Bonds1

About 7-ethyl-7-azabicyclo[4.2.0]octan-4-one

7-ethyl-7-azabicyclo[4.2.0]octan-4-one (PubChem CID 91187208) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 7-ethyl-7-azabicyclo[4.2.0]octan-4-one.

Molecular Properties

Compound Name7-ethyl-7-azabicyclo[4.2.0]octan-4-one
PubChem CID91187208
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name7-ethyl-7-azabicyclo[4.2.0]octan-4-one
SMILESCCN1CC2CCC(=O)CC21
InChIInChI=1S/C9H15NO/c1-2-10-6-7-3-4-8(11)5-9(7)10/h7,9H,2-6H2,1H3
InChIKeyIIVWLONSXMGBMW-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.06
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
(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 131135580
3-[3-(Difluoromethyl)azetidin-1-yl]-4-methylcyclohexan-1-one
CID 165496132
3-(Azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one
CID 165496712
6,7-Dimethyl-6-azabicyclo[3.1.1]heptan-3-one
CID 20380315
4-Oxo-7-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 21893005
(1R,6R)-4-oxo-7-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 69666308
(1S,6S)-4-oxo-7-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 69666309
7-Methyl-7-azabicyclo[4.2.0]octan-8-one
CID 118943942
7-Azabicyclo[4.2.0]octan-2-one
CID 83671541
4-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]butan-2-one
CID 130610067
7-Ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 133678948

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-azabicyclo[4.2.0]octan-4-one?
The IUPAC name of 7-ethyl-7-azabicyclo[4.2.0]octan-4-one (CID 91187208) is 7-ethyl-7-azabicyclo[4.2.0]octan-4-one.
What is the SMILES notation for 7-ethyl-7-azabicyclo[4.2.0]octan-4-one?
The canonical SMILES for 7-ethyl-7-azabicyclo[4.2.0]octan-4-one is CCN1CC2CCC(=O)CC21.
What is the InChIKey of 7-ethyl-7-azabicyclo[4.2.0]octan-4-one?
The InChIKey is IIVWLONSXMGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-6-7-3-4-8(11)5-9(7)10/h7,9H,2-6H2,1H3.
What are the key properties of 7-ethyl-7-azabicyclo[4.2.0]octan-4-one?
7-ethyl-7-azabicyclo[4.2.0]octan-4-one has a molecular weight of 153.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-azabicyclo[4.2.0]octan-4-one is sourced from PubChem (CID 91187208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).