3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane

C12H20N2O — CID 142610538

IUPAC3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane
SMILESC/C=N/c1c(C)cc[nH]c1=O.CC(C)C
InChIInChI=1S/C8H10N2O.C4H10/c1-3-9-7-6(2)4-5-10-8(7)11;1-4(2)3/h3-5H,1-2H3,(H,10,11);4H,1-3H3/b9-3+;
InChIKeyVBNACIHANPGJNR-JSGFVSQVSA-N
MW208.31 g/mol
LogP3.07
Rot. Bonds1

About 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane

3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane (PubChem CID 142610538) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane.

Molecular Properties

Compound Name3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane
PubChem CID142610538
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane
SMILESC/C=N/c1c(C)cc[nH]c1=O.CC(C)C
InChIInChI=1S/C8H10N2O.C4H10/c1-3-9-7-6(2)4-5-10-8(7)11;1-4(2)3/h3-5H,1-2H3,(H,10,11);4H,1-3H3/b9-3+;
InChIKeyVBNACIHANPGJNR-JSGFVSQVSA-N
XLogP3.07
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane?
The IUPAC name of 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane (CID 142610538) is 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane.
What is the SMILES notation for 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane?
The canonical SMILES for 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane is C/C=N/c1c(C)cc[nH]c1=O.CC(C)C.
What is the InChIKey of 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane?
The InChIKey is VBNACIHANPGJNR-JSGFVSQVSA-N. The full InChI is InChI=1S/C8H10N2O.C4H10/c1-3-9-7-6(2)4-5-10-8(7)11;1-4(2)3/h3-5H,1-2H3,(H,10,11);4H,1-3H3/b9-3+;.
What are the key properties of 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane?
3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane has a molecular weight of 208.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)-4-methyl-1H-pyridin-2-one;2-methylpropane is sourced from PubChem (CID 142610538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).