2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H21NOS — CID 70129175

IUPAC2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=CCN1CCc2sc(OC(C)(C)C)cc2C1
InChIInChI=1S/C14H21NOS/c1-5-7-15-8-6-12-11(10-15)9-13(17-12)16-14(2,3)4/h5,9H,1,6-8,10H2,2-4H3
InChIKeyPZVZPJHBDMNQJX-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.47
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 70129175) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID70129175
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=CCN1CCc2sc(OC(C)(C)C)cc2C1
InChIInChI=1S/C14H21NOS/c1-5-7-15-8-6-12-11(10-15)9-13(17-12)16-14(2,3)4/h5,9H,1,6-8,10H2,2-4H3
InChIKeyPZVZPJHBDMNQJX-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.47
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 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 70129175) is 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is C=CCN1CCc2sc(OC(C)(C)C)cc2C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is PZVZPJHBDMNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-5-7-15-8-6-12-11(10-15)9-13(17-12)16-14(2,3)4/h5,9H,1,6-8,10H2,2-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 251.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 70129175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).