2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone

C11H14N2O — CID 153052694

IUPAC2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone
SMILESCC(C)/C=N/CC(=O)c1ccncc1
InChIInChI=1S/C11H14N2O/c1-9(2)7-13-8-11(14)10-3-5-12-6-4-10/h3-7,9H,8H2,1-2H3/b13-7+
InChIKeyVHWIPCUJHNJYJF-NTUHNPAUSA-N
MW190.25 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone

2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone (PubChem CID 153052694) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone
PubChem CID153052694
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone
SMILESCC(C)/C=N/CC(=O)c1ccncc1
InChIInChI=1S/C11H14N2O/c1-9(2)7-13-8-11(14)10-3-5-12-6-4-10/h3-7,9H,8H2,1-2H3/b13-7+
InChIKeyVHWIPCUJHNJYJF-NTUHNPAUSA-N
XLogP1.99
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.99
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

2-azido-1-pyridin-4-ylethanone
CID 98883069
propan-2-yl 3-oxo-3-pyridin-4-ylpropanoate
CID 22925238
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
(2S)-2-bromo-1-pyridin-4-ylpropan-1-one
CID 86316487
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione
CID 14373878
1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
CID 160987415
1-pyridin-4-ylhexadecan-1-one
CID 102412701
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055
2,4-dioxo-4-pyridin-4-ylbutanoic acid
CID 516697

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone (CID 153052694) is 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone is CC(C)/C=N/CC(=O)c1ccncc1.
What is the InChIKey of 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone?
The InChIKey is VHWIPCUJHNJYJF-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(2)7-13-8-11(14)10-3-5-12-6-4-10/h3-7,9H,8H2,1-2H3/b13-7+.
What are the key properties of 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone?
2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone has a molecular weight of 190.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone is sourced from PubChem (CID 153052694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).