4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one

C8H10N2OS — CID 4682378

IUPAC4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one
SMILESC=CCSc1cc(N)cc(=O)[nH]1
InChIInChI=1S/C8H10N2OS/c1-2-3-12-8-5-6(9)4-7(11)10-8/h2,4-5H,1,3H2,(H3,9,10,11)
InChIKeyZAWXOYVLNHATRJ-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one

4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one (PubChem CID 4682378) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one
PubChem CID4682378
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one
SMILESC=CCSc1cc(N)cc(=O)[nH]1
InChIInChI=1S/C8H10N2OS/c1-2-3-12-8-5-6(9)4-7(11)10-8/h2,4-5H,1,3H2,(H3,9,10,11)
InChIKeyZAWXOYVLNHATRJ-UHFFFAOYSA-N
XLogP1.24
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one (CID 4682378) is 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one is C=CCSc1cc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one?
The InChIKey is ZAWXOYVLNHATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-3-12-8-5-6(9)4-7(11)10-8/h2,4-5H,1,3H2,(H3,9,10,11).
What are the key properties of 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one?
4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one has a molecular weight of 182.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-prop-2-enylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 4682378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).