5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one

C10H12N2O — CID 145007954

IUPAC5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one
SMILESC=Cc1[nH]c(=O)cc(C)c1/C=C/N
InChIInChI=1S/C10H12N2O/c1-3-9-8(4-5-11)7(2)6-10(13)12-9/h3-6H,1,11H2,2H3,(H,12,13)/b5-4+
InChIKeyANBRTDDGNZPFAP-SNAWJCMRSA-N
MW176.22 g/mol
LogP1.26
Rot. Bonds2

About 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one

5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one (PubChem CID 145007954) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one
PubChem CID145007954
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one
SMILESC=Cc1[nH]c(=O)cc(C)c1/C=C/N
InChIInChI=1S/C10H12N2O/c1-3-9-8(4-5-11)7(2)6-10(13)12-9/h3-6H,1,11H2,2H3,(H,12,13)/b5-4+
InChIKeyANBRTDDGNZPFAP-SNAWJCMRSA-N
XLogP1.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one (CID 145007954) is 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one is C=Cc1[nH]c(=O)cc(C)c1/C=C/N.
What is the InChIKey of 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one?
The InChIKey is ANBRTDDGNZPFAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-9-8(4-5-11)7(2)6-10(13)12-9/h3-6H,1,11H2,2H3,(H,12,13)/b5-4+.
What are the key properties of 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one?
5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-aminoethenyl]-6-ethenyl-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 145007954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).