2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one

C11H15NO — CID 20585684

IUPAC2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
SMILESCc1ncccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H15NO/c1-8-9(6-5-7-12-8)10(13)11(2,3)4/h5-7H,1-4H3
InChIKeyFRJNSLZYETWPID-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.62
Rot. Bonds1

About 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one

2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one (PubChem CID 20585684) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
PubChem CID20585684
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
SMILESCc1ncccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H15NO/c1-8-9(6-5-7-12-8)10(13)11(2,3)4/h5-7H,1-4H3
InChIKeyFRJNSLZYETWPID-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one (CID 20585684) is 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one is Cc1ncccc1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one?
The InChIKey is FRJNSLZYETWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-9(6-5-7-12-8)10(13)11(2,3)4/h5-7H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one?
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 20585684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).