1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone

C10H12N2O — CID 153345113

IUPAC1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone
SMILESC/C=N/c1cncc(C)c1C(C)=O
InChIInChI=1S/C10H12N2O/c1-4-12-9-6-11-5-7(2)10(9)8(3)13/h4-6H,1-3H3/b12-4+
InChIKeyUMDAZESVEGCHBY-UUILKARUSA-N
MW176.22 g/mol
LogP2.31
Rot. Bonds2

About 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone

1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone (PubChem CID 153345113) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone
PubChem CID153345113
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone
SMILESC/C=N/c1cncc(C)c1C(C)=O
InChIInChI=1S/C10H12N2O/c1-4-12-9-6-11-5-7(2)10(9)8(3)13/h4-6H,1-3H3/b12-4+
InChIKeyUMDAZESVEGCHBY-UUILKARUSA-N
XLogP2.31
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.31
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

1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
3-ethenyl-5-methylpyridine-4-carboxylic acid
CID 74888995
N-(5-methylpyrimidin-4-yl)ethanimine
CID 89493082
propan-2-yl 3,5-dimethylpyridine-4-carboxylate
CID 177327214
1-[5-bromo-4-chloro-2-(ethylideneamino)phenyl]ethanone
CID 154970414
ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
N-(3,4,5-trimethylphenyl)ethanimine
CID 129224731
4-(ethylideneamino)benzoic acid
CID 58717150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone?
The IUPAC name of 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone (CID 153345113) is 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone?
The canonical SMILES for 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone is C/C=N/c1cncc(C)c1C(C)=O.
What is the InChIKey of 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone?
The InChIKey is UMDAZESVEGCHBY-UUILKARUSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-12-9-6-11-5-7(2)10(9)8(3)13/h4-6H,1-3H3/b12-4+.
What are the key properties of 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone?
1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone has a molecular weight of 176.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone is sourced from PubChem (CID 153345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).