1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one

C10H15NOS — CID 169248662

IUPAC1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one
SMILESC=C(C)SC1=C(C)C(=O)N(C)CC1
InChIInChI=1S/C10H15NOS/c1-7(2)13-9-5-6-11(4)10(12)8(9)3/h1,5-6H2,2-4H3
InChIKeyIOHVANYABQXJLU-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.39
Rot. Bonds2

About 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one

1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one (PubChem CID 169248662) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one
PubChem CID169248662
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one
SMILESC=C(C)SC1=C(C)C(=O)N(C)CC1
InChIInChI=1S/C10H15NOS/c1-7(2)13-9-5-6-11(4)10(12)8(9)3/h1,5-6H2,2-4H3
InChIKeyIOHVANYABQXJLU-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
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1,6-dimethyl-4-oxo-2,3-dihydropyridine-5-carboxylic acid
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4-methyl-2-(4-oxocyclohexylidene)morpholin-3-one
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7,8,16,17-tetramethyl-3,12-dimethylidenetricyclo[12.4.0.05,10]octadeca-1(14),5(10),7,16-tetraene-6,9,15,18-tetrone
CID 101066714
7,8,16,17,25,26,34,35-octamethyl-3,12,21,30-tetramethylidenepentacyclo[30.4.0.05,10.014,19.023,28]hexatriaconta-1(32),5(10),7,14(19),16,23(28),25,34-octaene-6,9,15,18,24,27,33,36-octone
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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one (CID 169248662) is 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one is C=C(C)SC1=C(C)C(=O)N(C)CC1.
What is the InChIKey of 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one?
The InChIKey is IOHVANYABQXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)13-9-5-6-11(4)10(12)8(9)3/h1,5-6H2,2-4H3.
What are the key properties of 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one?
1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one has a molecular weight of 197.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-prop-1-en-2-ylsulfanyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 169248662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).