ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one

C14H22N2O — CID 142189248

IUPACethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC.[H]/N=C(\C(=C)C)c1ccc(C(C)C)[nH]c1=O
InChIInChI=1S/C12H16N2O.C2H6/c1-7(2)10-6-5-9(12(15)14-10)11(13)8(3)4;1-2/h5-7,13H,3H2,1-2,4H3,(H,14,15);1-2H3/b13-11+;
InChIKeyHDDCGERVXFWJTG-BNSHTTSQSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds3

About ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one

ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 142189248) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID142189248
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nameethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC.[H]/N=C(\C(=C)C)c1ccc(C(C)C)[nH]c1=O
InChIInChI=1S/C12H16N2O.C2H6/c1-7(2)10-6-5-9(12(15)14-10)11(13)8(3)4;1-2/h5-7,13H,3H2,1-2,4H3,(H,14,15);1-2H3/b13-11+;
InChIKeyHDDCGERVXFWJTG-BNSHTTSQSA-N
XLogP3.47
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
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 ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one (CID 142189248) is ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one is CC.[H]/N=C(\C(=C)C)c1ccc(C(C)C)[nH]c1=O.
What is the InChIKey of ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is HDDCGERVXFWJTG-BNSHTTSQSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-7(2)10-6-5-9(12(15)14-10)11(13)8(3)4;1-2/h5-7,13H,3H2,1-2,4H3,(H,14,15);1-2H3/b13-11+;.
What are the key properties of ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one?
ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylprop-2-enimidoyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 142189248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).