1-(4-amino-6-ethenyl-3-pyridinyl)ethanone

C9H10N2O — CID 74788222

IUPAC1-(4-amino-6-ethenyl-3-pyridinyl)ethanone
SMILESC=Cc1cc(N)c(C(C)=O)cn1
InChIInChI=1S/C9H10N2O/c1-3-7-4-9(10)8(5-11-7)6(2)12/h3-5H,1H2,2H3,(H2,10,11)
InChIKeyLWOKGHSRPXXWCB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.51
Rot. Bonds2

About 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone

1-(4-amino-6-ethenyl-3-pyridinyl)ethanone (PubChem CID 74788222) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-6-ethenyl-3-pyridinyl)ethanone
PubChem CID74788222
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-(4-amino-6-ethenyl-3-pyridinyl)ethanone
SMILESC=Cc1cc(N)c(C(C)=O)cn1
InChIInChI=1S/C9H10N2O/c1-3-7-4-9(10)8(5-11-7)6(2)12/h3-5H,1H2,2H3,(H2,10,11)
InChIKeyLWOKGHSRPXXWCB-UHFFFAOYSA-N
XLogP1.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone (CID 74788222) is 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone is C=Cc1cc(N)c(C(C)=O)cn1.
What is the InChIKey of 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone?
The InChIKey is LWOKGHSRPXXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-7-4-9(10)8(5-11-7)6(2)12/h3-5H,1H2,2H3,(H2,10,11).
What are the key properties of 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone?
1-(4-amino-6-ethenyl-3-pyridinyl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-ethenyl-3-pyridinyl)ethanone is sourced from PubChem (CID 74788222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).