5-cyclohexyl-3-propyl-1H-pyridin-2-one

C14H21NO — CID 91754991

IUPAC5-cyclohexyl-3-propyl-1H-pyridin-2-one
SMILESCCCc1cc(C2CCCCC2)c[nH]c1=O
InChIInChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyVGWMLHHFTHSIBB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.38
Rot. Bonds3

About 5-cyclohexyl-3-propyl-1H-pyridin-2-one

5-cyclohexyl-3-propyl-1H-pyridin-2-one (PubChem CID 91754991) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-cyclohexyl-3-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-cyclohexyl-3-propyl-1H-pyridin-2-one
PubChem CID91754991
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-cyclohexyl-3-propyl-1H-pyridin-2-one
SMILESCCCc1cc(C2CCCCC2)c[nH]c1=O
InChIInChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyVGWMLHHFTHSIBB-UHFFFAOYSA-N
XLogP3.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-propyl-1H-pyridin-2-one?
The IUPAC name of 5-cyclohexyl-3-propyl-1H-pyridin-2-one (CID 91754991) is 5-cyclohexyl-3-propyl-1H-pyridin-2-one.
What is the SMILES notation for 5-cyclohexyl-3-propyl-1H-pyridin-2-one?
The canonical SMILES for 5-cyclohexyl-3-propyl-1H-pyridin-2-one is CCCc1cc(C2CCCCC2)c[nH]c1=O.
What is the InChIKey of 5-cyclohexyl-3-propyl-1H-pyridin-2-one?
The InChIKey is VGWMLHHFTHSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-cyclohexyl-3-propyl-1H-pyridin-2-one?
5-cyclohexyl-3-propyl-1H-pyridin-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-propyl-1H-pyridin-2-one is sourced from PubChem (CID 91754991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).