cyclohepten-1-yl(pyrazin-2-yl)methanone

C12H14N2O — CID 103450557

IUPACcyclohepten-1-yl(pyrazin-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1cnccn1
InChIInChI=1S/C12H14N2O/c15-12(11-9-13-7-8-14-11)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2
InChIKeyRFBWYCUNOKHDIH-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.55
Rot. Bonds2

About cyclohepten-1-yl(pyrazin-2-yl)methanone

cyclohepten-1-yl(pyrazin-2-yl)methanone (PubChem CID 103450557) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is cyclohepten-1-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(pyrazin-2-yl)methanone
PubChem CID103450557
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Namecyclohepten-1-yl(pyrazin-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1cnccn1
InChIInChI=1S/C12H14N2O/c15-12(11-9-13-7-8-14-11)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2
InChIKeyRFBWYCUNOKHDIH-UHFFFAOYSA-N
XLogP2.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
[(1E)-cycloocten-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 106651894
cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 103450414
cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone
CID 103450540
[(1E)-cycloocten-1-yl]-quinoxalin-6-ylmethanone
CID 106651853
[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
CID 106655939
N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)cycloheptene-1-carboxamide
CID 122153049
cyclohepten-1-yl(quinolin-2-yl)methanone
CID 106651833
pyrazine-2-carbothioic S-acid
CID 87249006
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(cyclohepten-1-yl)methanone
CID 106655474
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(pyrazin-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl(pyrazin-2-yl)methanone (CID 103450557) is cyclohepten-1-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(pyrazin-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(pyrazin-2-yl)methanone is O=C(C1=CCCCCC1)c1cnccn1.
What is the InChIKey of cyclohepten-1-yl(pyrazin-2-yl)methanone?
The InChIKey is RFBWYCUNOKHDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12(11-9-13-7-8-14-11)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2.
What are the key properties of cyclohepten-1-yl(pyrazin-2-yl)methanone?
cyclohepten-1-yl(pyrazin-2-yl)methanone has a molecular weight of 202.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 103450557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).