6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone

C13H15NO — CID 114971615

IUPAC6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2C3CCCC32)cn1
InChIInChI=1S/C13H15NO/c1-8-5-6-9(7-14-8)13(15)12-10-3-2-4-11(10)12/h5-7,10-12H,2-4H2,1H3
InChIKeyGVYYGOWKPFVLNR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.62
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone

6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone (PubChem CID 114971615) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
PubChem CID114971615
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2C3CCCC32)cn1
InChIInChI=1S/C13H15NO/c1-8-5-6-9(7-14-8)13(15)12-10-3-2-4-11(10)12/h5-7,10-12H,2-4H2,1H3
InChIKeyGVYYGOWKPFVLNR-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone (CID 114971615) is 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2C3CCCC32)cn1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone?
The InChIKey is GVYYGOWKPFVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-5-6-9(7-14-8)13(15)12-10-3-2-4-11(10)12/h5-7,10-12H,2-4H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone?
6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone has a molecular weight of 201.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114971615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).