5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one

C10H14N2O — CID 70329752

IUPAC5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESC=CC1=C(/C=C\N)CC(C)C(=O)N1
InChIInChI=1S/C10H14N2O/c1-3-9-8(4-5-11)6-7(2)10(13)12-9/h3-5,7H,1,6,11H2,2H3,(H,12,13)/b5-4-
InChIKeyUVAUFQULIRBJPN-PLNGDYQASA-N
MW178.24 g/mol
LogP1.05
Rot. Bonds2

About 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one

5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 70329752) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID70329752
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one
SMILESC=CC1=C(/C=C\N)CC(C)C(=O)N1
InChIInChI=1S/C10H14N2O/c1-3-9-8(4-5-11)6-7(2)10(13)12-9/h3-5,7H,1,6,11H2,2H3,(H,12,13)/b5-4-
InChIKeyUVAUFQULIRBJPN-PLNGDYQASA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one (CID 70329752) is 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one is C=CC1=C(/C=C\N)CC(C)C(=O)N1.
What is the InChIKey of 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is UVAUFQULIRBJPN-PLNGDYQASA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-9-8(4-5-11)6-7(2)10(13)12-9/h3-5,7H,1,6,11H2,2H3,(H,12,13)/b5-4-.
What are the key properties of 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one?
5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoethenyl]-6-ethenyl-3-methyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 70329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).