1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one

C12H16N2O — CID 142236903

IUPAC1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one
SMILESCC/C=C\C(=N/C)n1ccc(C)cc1=O
InChIInChI=1S/C12H16N2O/c1-4-5-6-11(13-3)14-8-7-10(2)9-12(14)15/h5-9H,4H2,1-3H3/b6-5-,13-11+
InChIKeyMQFHBLGHLUUEAM-SAJBRBQFSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds2

About 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one

1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one (PubChem CID 142236903) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one
PubChem CID142236903
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one
SMILESCC/C=C\C(=N/C)n1ccc(C)cc1=O
InChIInChI=1S/C12H16N2O/c1-4-5-6-11(13-3)14-8-7-10(2)9-12(14)15/h5-9H,4H2,1-3H3/b6-5-,13-11+
InChIKeyMQFHBLGHLUUEAM-SAJBRBQFSA-N
XLogP2.00
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
2-Methoxy-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266901
2-hydroxy-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135426874
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3053745
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527406
2-Ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 118544476
3-[C-[(E)-2-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-2,5,6-trimethyl-1,3-diazecin-4-one
CID 139564591
2-Ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 154932875
2-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-6-(1-fluoroprop-2-enyl)-3-methylpyrimidin-4-one
CID 168998773
1-(5-methyl-4H-pyridin-4-id-2-yl)-3-(trifluoromethyl)pyridin-2-one;yttrium
CID 172336542

Frequently Asked Questions

What is the IUPAC name of 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one (CID 142236903) is 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one is CC/C=C\C(=N/C)n1ccc(C)cc1=O.
What is the InChIKey of 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one?
The InChIKey is MQFHBLGHLUUEAM-SAJBRBQFSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-5-6-11(13-3)14-8-7-10(2)9-12(14)15/h5-9H,4H2,1-3H3/b6-5-,13-11+.
What are the key properties of 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one?
1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-methylpyridin-2-one is sourced from PubChem (CID 142236903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).