3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one

C19H28N2O3S — CID 68775332

IUPAC3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
SMILESC=C(OCCCC)c1c(N2CCOCC2)sc2c1CC(C)(C)NC2=O
InChIInChI=1S/C19H28N2O3S/c1-5-6-9-24-13(2)15-14-12-19(3,4)20-17(22)16(14)25-18(15)21-7-10-23-11-8-21/h2,5-12H2,1,3-4H3,(H,20,22)
InChIKeySEOIUIVCRQXPED-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.44
Rot. Bonds6

About 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one

3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 68775332) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID68775332
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
SMILESC=C(OCCCC)c1c(N2CCOCC2)sc2c1CC(C)(C)NC2=O
InChIInChI=1S/C19H28N2O3S/c1-5-6-9-24-13(2)15-14-12-19(3,4)20-17(22)16(14)25-18(15)21-7-10-23-11-8-21/h2,5-12H2,1,3-4H3,(H,20,22)
InChIKeySEOIUIVCRQXPED-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one (CID 68775332) is 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one is C=C(OCCCC)c1c(N2CCOCC2)sc2c1CC(C)(C)NC2=O.
What is the InChIKey of 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is SEOIUIVCRQXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-5-6-9-24-13(2)15-14-12-19(3,4)20-17(22)16(14)25-18(15)21-7-10-23-11-8-21/h2,5-12H2,1,3-4H3,(H,20,22).
What are the key properties of 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 364.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butoxyethenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 68775332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).