acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one

C16H20N2O2 — CID 162267873

IUPACacetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one
SMILESC#C.CC1=CC(C)=NC(=O)C1.Cc1cc(C)[nH]c(=O)c1
InChIInChI=1S/2C7H9NO.C2H2/c2*1-5-3-6(2)8-7(9)4-5;1-2/h3H,4H2,1-2H3;3-4H,1-2H3,(H,8,9);1-2H
InChIKeyLPLMHBLYABZIQT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.57
Rot. Bonds

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

acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one (PubChem CID 162267873) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one.

Molecular Properties

Compound Nameacetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one
PubChem CID162267873
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameacetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one
SMILESC#C.CC1=CC(C)=NC(=O)C1.Cc1cc(C)[nH]c(=O)c1
InChIInChI=1S/2C7H9NO.C2H2/c2*1-5-3-6(2)8-7(9)4-5;1-2/h3H,4H2,1-2H3;3-4H,1-2H3,(H,8,9);1-2H
InChIKeyLPLMHBLYABZIQT-UHFFFAOYSA-N
XLogP2.57
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one?
The IUPAC name of acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one (CID 162267873) is acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one.
What is the SMILES notation for acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one?
The canonical SMILES for acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one is C#C.CC1=CC(C)=NC(=O)C1.Cc1cc(C)[nH]c(=O)c1.
What is the InChIKey of acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one?
The InChIKey is LPLMHBLYABZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO.C2H2/c2*1-5-3-6(2)8-7(9)4-5;1-2/h3H,4H2,1-2H3;3-4H,1-2H3,(H,8,9);1-2H.
What are the key properties of acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one?
acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3H-pyridin-2-one is sourced from PubChem (CID 162267873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).