3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one

C14H17NO — CID 79737587

IUPAC3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one
SMILESCCc1ccc(CC2=CC(=O)CCC2)nc1
InChIInChI=1S/C14H17NO/c1-2-11-6-7-13(15-10-11)8-12-4-3-5-14(16)9-12/h6-7,9-10H,2-5,8H2,1H3
InChIKeyFGUVYFPMPDPYEW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.87
Rot. Bonds3

About 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one

3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one (PubChem CID 79737587) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one
PubChem CID79737587
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one
SMILESCCc1ccc(CC2=CC(=O)CCC2)nc1
InChIInChI=1S/C14H17NO/c1-2-11-6-7-13(15-10-11)8-12-4-3-5-14(16)9-12/h6-7,9-10H,2-5,8H2,1H3
InChIKeyFGUVYFPMPDPYEW-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one (CID 79737587) is 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one is CCc1ccc(CC2=CC(=O)CCC2)nc1.
What is the InChIKey of 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one?
The InChIKey is FGUVYFPMPDPYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-11-6-7-13(15-10-11)8-12-4-3-5-14(16)9-12/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one?
3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-pyridinyl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 79737587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).