azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone

C10H19NO — CID 174915848

IUPACazane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
SMILESCC(=O)C1C2CC(C)(C)CC21.N
InChIInChI=1S/C10H16O.H3N/c1-6(11)9-7-4-10(2,3)5-8(7)9;/h7-9H,4-5H2,1-3H3;1H3
InChIKeyQYLIBWZMDAURCY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.42
Rot. Bonds1

About azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone

azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone (PubChem CID 174915848) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone.

Molecular Properties

Compound Nameazane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
PubChem CID174915848
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameazane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
SMILESCC(=O)C1C2CC(C)(C)CC21.N
InChIInChI=1S/C10H16O.H3N/c1-6(11)9-7-4-10(2,3)5-8(7)9;/h7-9H,4-5H2,1-3H3;1H3
InChIKeyQYLIBWZMDAURCY-UHFFFAOYSA-N
XLogP2.42
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone?
The IUPAC name of azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone (CID 174915848) is azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone.
What is the SMILES notation for azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone?
The canonical SMILES for azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone is CC(=O)C1C2CC(C)(C)CC21.N.
What is the InChIKey of azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone?
The InChIKey is QYLIBWZMDAURCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.H3N/c1-6(11)9-7-4-10(2,3)5-8(7)9;/h7-9H,4-5H2,1-3H3;1H3.
What are the key properties of azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone?
azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone is sourced from PubChem (CID 174915848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).