1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine

C11H13N3O — CID 145108183

IUPAC1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine
SMILESC=CNc1cccnc1C(=O)C=C.[H]N=C
InChIInChI=1S/C10H10N2O.CH3N/c1-3-9(13)10-8(11-4-2)6-5-7-12-10;1-2/h3-7,11H,1-2H2;2H,1H2
InChIKeySRGPXXRLZNAIMZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine

1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine (PubChem CID 145108183) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine.

Molecular Properties

Compound Name1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine
PubChem CID145108183
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine
SMILESC=CNc1cccnc1C(=O)C=C.[H]N=C
InChIInChI=1S/C10H10N2O.CH3N/c1-3-9(13)10-8(11-4-2)6-5-7-12-10;1-2/h3-7,11H,1-2H2;2H,1H2
InChIKeySRGPXXRLZNAIMZ-UHFFFAOYSA-N
XLogP2.27
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-prop-2-enoyl-3-pyridinyl)prop-2-en-1-one
CID 139611910
1-[3-(dimethylamino)-2-pyridinyl]prop-2-en-1-one
CID 70424436
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
bis(prop-2-enyl) pyridine-2,3-dicarboxylate
CID 18947519
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
2-ethenyl-N-ethynylpyridin-3-amine
CID 123535675
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396
2-(ethenylamino)-N,N-diethylbenzamide
CID 10932915
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine?
The IUPAC name of 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine (CID 145108183) is 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine.
What is the SMILES notation for 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine?
The canonical SMILES for 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine is C=CNc1cccnc1C(=O)C=C.[H]N=C.
What is the InChIKey of 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine?
The InChIKey is SRGPXXRLZNAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.CH3N/c1-3-9(13)10-8(11-4-2)6-5-7-12-10;1-2/h3-7,11H,1-2H2;2H,1H2.
What are the key properties of 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine?
1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine has a molecular weight of 203.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethenylamino)-2-pyridinyl]prop-2-en-1-one;methanimine is sourced from PubChem (CID 145108183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).