cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone

C13H15NO — CID 106652156

IUPACcyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)C1=CCCCC1
InChIInChI=1S/C13H15NO/c1-10-9-14-8-7-12(10)13(15)11-5-3-2-4-6-11/h5,7-9H,2-4,6H2,1H3
InChIKeyVPSCYCWONQVMRU-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.07
Rot. Bonds2

About cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone

cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone (PubChem CID 106652156) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
PubChem CID106652156
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namecyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)C1=CCCCC1
InChIInChI=1S/C13H15NO/c1-10-9-14-8-7-12(10)13(15)11-5-3-2-4-6-11/h5,7-9H,2-4,6H2,1H3
InChIKeyVPSCYCWONQVMRU-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 103450414
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
cyclohepten-1-yl(pyrazin-2-yl)methanone
CID 103450557
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204
(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103449954
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
cyclohexen-1-yl-(3-methylthiophen-2-yl)methanone
CID 62080304
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone?
The IUPAC name of cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone (CID 106652156) is cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone is Cc1cnccc1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone?
The InChIKey is VPSCYCWONQVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-9-14-8-7-12(10)13(15)11-5-3-2-4-6-11/h5,7-9H,2-4,6H2,1H3.
What are the key properties of cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone?
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone has a molecular weight of 201.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106652156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).