1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone

C10H16O — CID 130029830

IUPAC1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone
SMILESCCC1C2CCCC12C(C)=O
InChIInChI=1S/C10H16O/c1-3-8-9-5-4-6-10(8,9)7(2)11/h8-9H,3-6H2,1-2H3
InChIKeyCNUZSBIJRAZBGK-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds2

About 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone

1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone (PubChem CID 130029830) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone
PubChem CID130029830
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone
SMILESCCC1C2CCCC12C(C)=O
InChIInChI=1S/C10H16O/c1-3-8-9-5-4-6-10(8,9)7(2)11/h8-9H,3-6H2,1-2H3
InChIKeyCNUZSBIJRAZBGK-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone?
The IUPAC name of 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone (CID 130029830) is 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone.
What is the SMILES notation for 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone?
The canonical SMILES for 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone is CCC1C2CCCC12C(C)=O.
What is the InChIKey of 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone?
The InChIKey is CNUZSBIJRAZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-8-9-5-4-6-10(8,9)7(2)11/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone?
1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone has a molecular weight of 152.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1-bicyclo[3.1.0]hexanyl)ethanone is sourced from PubChem (CID 130029830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).