4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one

C12H17NO2 — CID 659086

IUPAC4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one
SMILESCCCCC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C12H17NO2/c1-4-5-6-10(14)11-8(2)7-9(3)13-12(11)15/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyCDMINUMLDWBDST-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds4

About 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one

4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one (PubChem CID 659086) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one
PubChem CID659086
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one
SMILESCCCCC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C12H17NO2/c1-4-5-6-10(14)11-8(2)7-9(3)13-12(11)15/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyCDMINUMLDWBDST-UHFFFAOYSA-N
XLogP2.36
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one (CID 659086) is 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one is CCCCC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one?
The InChIKey is CDMINUMLDWBDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-5-6-10(14)11-8(2)7-9(3)13-12(11)15/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one?
4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one is sourced from PubChem (CID 659086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).