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

C12H17NO — CID 167337393

IUPAC3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(C2CC2)c(=O)n(C)c1
InChIInChI=1S/C12H17NO/c1-8(2)10-6-11(9-4-5-9)12(14)13(3)7-10/h6-9H,4-5H2,1-3H3
InChIKeyAGJQCCMRUKIAHH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.39
Rot. Bonds2

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

3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one (PubChem CID 167337393) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one
PubChem CID167337393
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(C2CC2)c(=O)n(C)c1
InChIInChI=1S/C12H17NO/c1-8(2)10-6-11(9-4-5-9)12(14)13(3)7-10/h6-9H,4-5H2,1-3H3
InChIKeyAGJQCCMRUKIAHH-UHFFFAOYSA-N
XLogP2.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one?
The IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one (CID 167337393) is 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one is CC(C)c1cc(C2CC2)c(=O)n(C)c1.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one?
The InChIKey is AGJQCCMRUKIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)10-6-11(9-4-5-9)12(14)13(3)7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one?
3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-propan-2-ylpyridin-2-one is sourced from PubChem (CID 167337393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).