2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H23NOS — CID 70128877

IUPAC2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=CCN1CCc2sc(OCCCCC)cc2C1
InChIInChI=1S/C15H23NOS/c1-3-5-6-10-17-15-11-13-12-16(8-4-2)9-7-14(13)18-15/h4,11H,2-3,5-10,12H2,1H3
InChIKeyUSVLDGOSSSHKTB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.86
Rot. Bonds7

About 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 70128877) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID70128877
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=CCN1CCc2sc(OCCCCC)cc2C1
InChIInChI=1S/C15H23NOS/c1-3-5-6-10-17-15-11-13-12-16(8-4-2)9-7-14(13)18-15/h4,11H,2-3,5-10,12H2,1H3
InChIKeyUSVLDGOSSSHKTB-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 70128877) is 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is C=CCN1CCc2sc(OCCCCC)cc2C1.
What is the InChIKey of 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is USVLDGOSSSHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-5-6-10-17-15-11-13-12-16(8-4-2)9-7-14(13)18-15/h4,11H,2-3,5-10,12H2,1H3.
What are the key properties of 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 265.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-5-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 70128877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).