cyclohexen-1-yl(pyrimidin-2-yl)methanone

C11H12N2O — CID 106651764

IUPACcyclohexen-1-yl(pyrimidin-2-yl)methanone
SMILESO=C(C1=CCCCC1)c1ncccn1
InChIInChI=1S/C11H12N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h4-5,7-8H,1-3,6H2
InChIKeyRPOVIMMSBZVOJG-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.16
Rot. Bonds2

About cyclohexen-1-yl(pyrimidin-2-yl)methanone

cyclohexen-1-yl(pyrimidin-2-yl)methanone (PubChem CID 106651764) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is cyclohexen-1-yl(pyrimidin-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(pyrimidin-2-yl)methanone
PubChem CID106651764
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Namecyclohexen-1-yl(pyrimidin-2-yl)methanone
SMILESO=C(C1=CCCCC1)c1ncccn1
InChIInChI=1S/C11H12N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h4-5,7-8H,1-3,6H2
InChIKeyRPOVIMMSBZVOJG-UHFFFAOYSA-N
XLogP2.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohepten-1-yl(pyrazin-2-yl)methanone
CID 103450557
cyclohexen-1-yl(quinoxalin-5-yl)methanone
CID 106656102
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
CID 106655939
cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone
CID 103450540
[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
CID 106651853
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103449954
cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(pyrimidin-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl(pyrimidin-2-yl)methanone (CID 106651764) is cyclohexen-1-yl(pyrimidin-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(pyrimidin-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(pyrimidin-2-yl)methanone is O=C(C1=CCCCC1)c1ncccn1.
What is the InChIKey of cyclohexen-1-yl(pyrimidin-2-yl)methanone?
The InChIKey is RPOVIMMSBZVOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h4-5,7-8H,1-3,6H2.
What are the key properties of cyclohexen-1-yl(pyrimidin-2-yl)methanone?
cyclohexen-1-yl(pyrimidin-2-yl)methanone has a molecular weight of 188.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(pyrimidin-2-yl)methanone is sourced from PubChem (CID 106651764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).