1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one

C11H14N2O — CID 116589890

IUPAC1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one
SMILESC=CCNCC(=O)Cc1ccccn1
InChIInChI=1S/C11H14N2O/c1-2-6-12-9-11(14)8-10-5-3-4-7-13-10/h2-5,7,12H,1,6,8-9H2
InChIKeyVQUSYVVPDNDIQA-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.97
Rot. Bonds6

About 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one

1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one (PubChem CID 116589890) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one
PubChem CID116589890
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one
SMILESC=CCNCC(=O)Cc1ccccn1
InChIInChI=1S/C11H14N2O/c1-2-6-12-9-11(14)8-10-5-3-4-7-13-10/h2-5,7,12H,1,6,8-9H2
InChIKeyVQUSYVVPDNDIQA-UHFFFAOYSA-N
XLogP0.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
3-oxo-N-prop-2-enyl-2-(pyridin-2-ylmethyl)prop-2-enamide
CID 57265204
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one
CID 158709731
2-prop-2-enylpyridine
CID 3015241
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine
CID 67443317
CID 131857449
CID 131857449
5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
1-(1-ethylbenzimidazol-2-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589893

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one (CID 116589890) is 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one is C=CCNCC(=O)Cc1ccccn1.
What is the InChIKey of 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one?
The InChIKey is VQUSYVVPDNDIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-6-12-9-11(14)8-10-5-3-4-7-13-10/h2-5,7,12H,1,6,8-9H2.
What are the key properties of 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one?
1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 116589890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).