5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one

C13H16N2O — CID 142236952

IUPAC5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one
SMILESC=C/C(C)=C\C(=N/C)n1cc(C)ccc1=O
InChIInChI=1S/C13H16N2O/c1-5-10(2)8-12(14-4)15-9-11(3)6-7-13(15)16/h5-9H,1H2,2-4H3/b10-8-,14-12+
InChIKeyISZBGWVNYDCPLU-FUPPWZCUSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds2

About 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one

5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one (PubChem CID 142236952) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one
PubChem CID142236952
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one
SMILESC=C/C(C)=C\C(=N/C)n1cc(C)ccc1=O
InChIInChI=1S/C13H16N2O/c1-5-10(2)8-12(14-4)15-9-11(3)6-7-13(15)16/h5-9H,1H2,2-4H3/b10-8-,14-12+
InChIKeyISZBGWVNYDCPLU-FUPPWZCUSA-N
XLogP2.17
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
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
3,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155812076
7-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529100
8-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529101
2-(diethylamino)-N,N-dimethyl-3H-azepine-5-carboxamide
CID 86151925
7-Methyl-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892482
2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide
CID 134915400
2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
CID 134989648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one?
The IUPAC name of 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one (CID 142236952) is 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one.
What is the SMILES notation for 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one?
The canonical SMILES for 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one is C=C/C(C)=C\C(=N/C)n1cc(C)ccc1=O.
What is the InChIKey of 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one?
The InChIKey is ISZBGWVNYDCPLU-FUPPWZCUSA-N. The full InChI is InChI=1S/C13H16N2O/c1-5-10(2)8-12(14-4)15-9-11(3)6-7-13(15)16/h5-9H,1H2,2-4H3/b10-8-,14-12+.
What are the key properties of 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one?
5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[N-methyl-C-[(1Z)-2-methylbuta-1,3-dienyl]carbonimidoyl]pyridin-2-one is sourced from PubChem (CID 142236952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).