5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one

C12H17NO2 — CID 157042479

IUPAC5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one
SMILESCOc1cc(C2CC2)cn(C(C)C)c1=O
InChIInChI=1S/C12H17NO2/c1-8(2)13-7-10(9-4-5-9)6-11(15-3)12(13)14/h6-9H,4-5H2,1-3H3
InChIKeyOZMSKSGUNYCKSO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.32
Rot. Bonds3

About 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one

5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one (PubChem CID 157042479) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one
PubChem CID157042479
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one
SMILESCOc1cc(C2CC2)cn(C(C)C)c1=O
InChIInChI=1S/C12H17NO2/c1-8(2)13-7-10(9-4-5-9)6-11(15-3)12(13)14/h6-9H,4-5H2,1-3H3
InChIKeyOZMSKSGUNYCKSO-UHFFFAOYSA-N
XLogP2.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one (CID 157042479) is 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one is COc1cc(C2CC2)cn(C(C)C)c1=O.
What is the InChIKey of 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one?
The InChIKey is OZMSKSGUNYCKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13-7-10(9-4-5-9)6-11(15-3)12(13)14/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one?
5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methoxy-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 157042479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).