4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one

C16H22N2O — CID 176707488

IUPAC4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one
SMILESC/C=C\C=N\C(=C\CCC)c1ccn(C)c(=O)c1C
InChIInChI=1S/C16H22N2O/c1-5-7-9-15(17-11-8-6-2)14-10-12-18(4)16(19)13(14)3/h6,8-12H,5,7H2,1-4H3/b8-6-,15-9+,17-11+
InChIKeyVZOUMKOHNLWQEX-WXHNZAHZSA-N
MW258.37 g/mol
LogP3.48
Rot. Bonds5

About 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one

4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one (PubChem CID 176707488) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one
PubChem CID176707488
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one
SMILESC/C=C\C=N\C(=C\CCC)c1ccn(C)c(=O)c1C
InChIInChI=1S/C16H22N2O/c1-5-7-9-15(17-11-8-6-2)14-10-12-18(4)16(19)13(14)3/h6,8-12H,5,7H2,1-4H3/b8-6-,15-9+,17-11+
InChIKeyVZOUMKOHNLWQEX-WXHNZAHZSA-N
XLogP3.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-Dimethyl-1,6-naphthyridin-7-one
CID 59283979
5,7-Dimethyl-1,7-naphthyridin-6-one
CID 59284093
N,N,7-trimethyl-6H-cyclohepta[b]pyridine-2-carboxamide
CID 143911067
ethane;(2E)-2-(2-methylidene-3-pyridinylidene)but-3-enamide
CID 143913519
N-[3-[ethyl-[(Z,1E)-1-(3-methylidene-4-pyridinylidene)but-2-enyl]amino]propyl]-N-methylacetamide
CID 145075544
Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
ethane;1-methyl-5-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]pyridin-2-one
CID 153352874
1-methyl-3-(methyliminomethyl)-4-[(Z)-prop-1-enyl]pyridin-2-one
CID 155041166
1,3-dimethyl-5-(3H-pyrrol-2-yl)pyridin-2-one
CID 158198030
1,4-dimethyl-3H-pyridin-1-ium-2-one;1,6-dimethylpyridin-2-one
CID 159185875
4,7-Dimethyl-1,7-naphthyridin-6-one;ethane
CID 163274686
4,7-Dimethyl-1,7-naphthyridin-6-one
CID 163274687

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one (CID 176707488) is 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one is C/C=C\C=N\C(=C\CCC)c1ccn(C)c(=O)c1C.
What is the InChIKey of 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one?
The InChIKey is VZOUMKOHNLWQEX-WXHNZAHZSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-7-9-15(17-11-8-6-2)14-10-12-18(4)16(19)13(14)3/h6,8-12H,5,7H2,1-4H3/b8-6-,15-9+,17-11+.
What are the key properties of 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one?
4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[[(Z)-but-2-enylidene]amino]pent-1-enyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 176707488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).