5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one

C11H13NOS — CID 130542809

IUPAC5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESC=C(C)CN1CCc2sccc2C1=O
InChIInChI=1S/C11H13NOS/c1-8(2)7-12-5-3-10-9(11(12)13)4-6-14-10/h4,6H,1,3,5,7H2,2H3
InChIKeySYYZPBGMLZLQSG-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one

5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one (PubChem CID 130542809) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
PubChem CID130542809
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESC=C(C)CN1CCc2sccc2C1=O
InChIInChI=1S/C11H13NOS/c1-8(2)7-12-5-3-10-9(11(12)13)4-6-14-10/h4,6H,1,3,5,7H2,2H3
InChIKeySYYZPBGMLZLQSG-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-oxobutyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
CID 130542787
2-(4-oxo-7,8-dihydro-6H-thieno[3,2-c]azepin-5-yl)acetic acid
CID 50990565
6-chloro-2-(2-methylprop-2-enyl)-3,4-dihydroisoquinolin-1-one
CID 143675071
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
5-[2-[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-2-oxoethyl]-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one
CID 96996582
2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
CID 71778155
1-(2-methylprop-2-enyl)imidazolidin-2-one
CID 114619407
7-nitro-2-[2-(sulfanylmethyl)prop-2-enyl]-3,4-dihydroisoquinolin-1-one
CID 103073993
6-prop-1-en-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 70216021
3-oxo-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)butanoic acid
CID 90737522
2-[(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)methyl]prop-2-enoic acid
CID 104525086
2-[2-(chloromethyl)prop-2-enyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103065874

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one (CID 130542809) is 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one is C=C(C)CN1CCc2sccc2C1=O.
What is the InChIKey of 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The InChIKey is SYYZPBGMLZLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8(2)7-12-5-3-10-9(11(12)13)4-6-14-10/h4,6H,1,3,5,7H2,2H3.
What are the key properties of 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one?
5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one has a molecular weight of 207.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 130542809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).