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

C14H24N2O — CID 142610471

IUPAC4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane
SMILESCC(C)C.Cc1cc[nH]c(=O)c1/N=C/C(C)C
InChIInChI=1S/C10H14N2O.C4H10/c1-7(2)6-12-9-8(3)4-5-11-10(9)13;1-4(2)3/h4-7H,1-3H3,(H,11,13);4H,1-3H3/b12-6+;
InChIKeyPKEZYFLMKGBCFA-WXIWBVQFSA-N
MW236.36 g/mol
LogP3.70
Rot. Bonds2

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

4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane (PubChem CID 142610471) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane
PubChem CID142610471
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane
SMILESCC(C)C.Cc1cc[nH]c(=O)c1/N=C/C(C)C
InChIInChI=1S/C10H14N2O.C4H10/c1-7(2)6-12-9-8(3)4-5-11-10(9)13;1-4(2)3/h4-7H,1-3H3,(H,11,13);4H,1-3H3/b12-6+;
InChIKeyPKEZYFLMKGBCFA-WXIWBVQFSA-N
XLogP3.70
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.70
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-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane?
The IUPAC name of 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane (CID 142610471) is 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane.
What is the SMILES notation for 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane?
The canonical SMILES for 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane is CC(C)C.Cc1cc[nH]c(=O)c1/N=C/C(C)C.
What is the InChIKey of 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane?
The InChIKey is PKEZYFLMKGBCFA-WXIWBVQFSA-N. The full InChI is InChI=1S/C10H14N2O.C4H10/c1-7(2)6-12-9-8(3)4-5-11-10(9)13;1-4(2)3/h4-7H,1-3H3,(H,11,13);4H,1-3H3/b12-6+;.
What are the key properties of 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane?
4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane has a molecular weight of 236.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropylideneamino)-1H-pyridin-2-one;2-methylpropane is sourced from PubChem (CID 142610471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).