1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone

C13H17NO — CID 107001982

IUPAC1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)C2CC2(C)C)nc1
InChIInChI=1S/C13H17NO/c1-9-4-5-10(14-8-9)6-12(15)11-7-13(11,2)3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyWBVLPHUIMPTTBA-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.55
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 107001982) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID107001982
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)C2CC2(C)C)nc1
InChIInChI=1S/C13H17NO/c1-9-4-5-10(14-8-9)6-12(15)11-7-13(11,2)3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyWBVLPHUIMPTTBA-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone (CID 107001982) is 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)C2CC2(C)C)nc1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is WBVLPHUIMPTTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-4-5-10(14-8-9)6-12(15)11-7-13(11,2)3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 107001982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).