4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one

C14H19NO2 — CID 83261333

IUPAC4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one
SMILESCC(C)Oc1cncc(C2CCC(=O)CC2)c1
InChIInChI=1S/C14H19NO2/c1-10(2)17-14-7-12(8-15-9-14)11-3-5-13(16)6-4-11/h7-11H,3-6H2,1-2H3
InChIKeyFSNVLEWQRPWTRB-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.10
Rot. Bonds3

About 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one

4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one (PubChem CID 83261333) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one
PubChem CID83261333
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one
SMILESCC(C)Oc1cncc(C2CCC(=O)CC2)c1
InChIInChI=1S/C14H19NO2/c1-10(2)17-14-7-12(8-15-9-14)11-3-5-13(16)6-4-11/h7-11H,3-6H2,1-2H3
InChIKeyFSNVLEWQRPWTRB-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one?
The IUPAC name of 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one (CID 83261333) is 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one?
The canonical SMILES for 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one is CC(C)Oc1cncc(C2CCC(=O)CC2)c1.
What is the InChIKey of 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one?
The InChIKey is FSNVLEWQRPWTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)17-14-7-12(8-15-9-14)11-3-5-13(16)6-4-11/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one?
4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one has a molecular weight of 233.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one is sourced from PubChem (CID 83261333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).