1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one

C13H17NO2 — CID 82893033

IUPAC1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one
SMILESCOc1cc(C)nc(CCC(=O)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-9-7-12(16-2)8-11(14-9)5-6-13(15)10-3-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAOPRCHFLGVNVFE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.31
Rot. Bonds5

About 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one

1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one (PubChem CID 82893033) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one
PubChem CID82893033
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one
SMILESCOc1cc(C)nc(CCC(=O)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-9-7-12(16-2)8-11(14-9)5-6-13(15)10-3-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAOPRCHFLGVNVFE-UHFFFAOYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one (CID 82893033) is 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one is COc1cc(C)nc(CCC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one?
The InChIKey is AOPRCHFLGVNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-7-12(16-2)8-11(14-9)5-6-13(15)10-3-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one?
1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 82893033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).