4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one

C11H16N2O — CID 126599334

IUPAC4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one
SMILESCCC(C)/C=N/c1c(C)cc[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-4-8(2)7-13-10-9(3)5-6-12-11(10)14/h5-8H,4H2,1-3H3,(H,12,14)/b13-7+
InChIKeySGNHHBLADDYVQS-NTUHNPAUSA-N
MW192.26 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one

4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one (PubChem CID 126599334) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one
PubChem CID126599334
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one
SMILESCCC(C)/C=N/c1c(C)cc[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-4-8(2)7-13-10-9(3)5-6-12-11(10)14/h5-8H,4H2,1-3H3,(H,12,14)/b13-7+
InChIKeySGNHHBLADDYVQS-NTUHNPAUSA-N
XLogP2.43
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.43
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 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one (CID 126599334) is 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one is CCC(C)/C=N/c1c(C)cc[nH]c1=O.
What is the InChIKey of 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one?
The InChIKey is SGNHHBLADDYVQS-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-8(2)7-13-10-9(3)5-6-12-11(10)14/h5-8H,4H2,1-3H3,(H,12,14)/b13-7+.
What are the key properties of 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one?
4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylbutylideneamino)-1H-pyridin-2-one is sourced from PubChem (CID 126599334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).