2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone

C12H15NO2 — CID 116709093

IUPAC2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone
SMILESCOC(C(=O)c1cnccc1C)C1CC1
InChIInChI=1S/C12H15NO2/c1-8-5-6-13-7-10(8)11(14)12(15-2)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3
InChIKeySWTPZFSFYCTVCN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds4

About 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone

2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 116709093) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID116709093
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone
SMILESCOC(C(=O)c1cnccc1C)C1CC1
InChIInChI=1S/C12H15NO2/c1-8-5-6-13-7-10(8)11(14)12(15-2)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3
InChIKeySWTPZFSFYCTVCN-UHFFFAOYSA-N
XLogP2.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747
methyl 4-methylpyridine-3-carboxylate
CID 10877301
2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
CID 116750925
2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one
CID 103453788
4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113491
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 79196818
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 66273110
2-(aminomethyl)-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116574061
2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone
CID 116708959

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone (CID 116709093) is 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone is COC(C(=O)c1cnccc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is SWTPZFSFYCTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-5-6-13-7-10(8)11(14)12(15-2)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone?
2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 116709093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).