3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine

C14H17NOS — CID 58755529

IUPAC3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine
SMILESC=CCOc1cc(C(C)C)c2scc(C)c2n1
InChIInChI=1S/C14H17NOS/c1-5-6-16-12-7-11(9(2)3)14-13(15-12)10(4)8-17-14/h5,7-9H,1,6H2,2-4H3
InChIKeyVNPMTOPVKNZDMQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.29
Rot. Bonds4

About 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine

3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine (PubChem CID 58755529) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine
PubChem CID58755529
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine
SMILESC=CCOc1cc(C(C)C)c2scc(C)c2n1
InChIInChI=1S/C14H17NOS/c1-5-6-16-12-7-11(9(2)3)14-13(15-12)10(4)8-17-14/h5,7-9H,1,6H2,2-4H3
InChIKeyVNPMTOPVKNZDMQ-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
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 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine?
The IUPAC name of 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine (CID 58755529) is 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine.
What is the SMILES notation for 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine?
The canonical SMILES for 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine is C=CCOc1cc(C(C)C)c2scc(C)c2n1.
What is the InChIKey of 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine?
The InChIKey is VNPMTOPVKNZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-5-6-16-12-7-11(9(2)3)14-13(15-12)10(4)8-17-14/h5,7-9H,1,6H2,2-4H3.
What are the key properties of 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine?
3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine has a molecular weight of 247.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yl-5-prop-2-enoxythieno[3,2-b]pyridine is sourced from PubChem (CID 58755529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).