4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one

C12H17NO — CID 63196750

IUPAC4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one
SMILESCC(=O)C(c1ccc(C)cn1)C(C)C
InChIInChI=1S/C12H17NO/c1-8(2)12(10(4)14)11-6-5-9(3)7-13-11/h5-8,12H,1-4H3
InChIKeyMFJFQBDPQMSGAM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one

4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one (PubChem CID 63196750) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one
PubChem CID63196750
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one
SMILESCC(=O)C(c1ccc(C)cn1)C(C)C
InChIInChI=1S/C12H17NO/c1-8(2)12(10(4)14)11-6-5-9(3)7-13-11/h5-8,12H,1-4H3
InChIKeyMFJFQBDPQMSGAM-UHFFFAOYSA-N
XLogP2.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-pyridinyl)propanamide
CID 67185954
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
2-(1-fluoroethyl)-5-methylpyridine
CID 126491448
1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 127263938
4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-amine
CID 63197672
2-(5-methyl-2-pyridinyl)-5-oxohexanamide
CID 174310959
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
(2S)-2-bromo-2-(5-methyl-2-pyridinyl)acetaldehyde
CID 146197547
5-methyl-2-pentan-2-ylpyridine
CID 121401028
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one?
The IUPAC name of 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one (CID 63196750) is 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one?
The canonical SMILES for 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one is CC(=O)C(c1ccc(C)cn1)C(C)C.
What is the InChIKey of 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one?
The InChIKey is MFJFQBDPQMSGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)12(10(4)14)11-6-5-9(3)7-13-11/h5-8,12H,1-4H3.
What are the key properties of 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one?
4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 63196750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).