8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine

C10H13NO2 — CID 89207197

IUPAC8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine
SMILESCCc1cc2c(cn1)OCCCO2
InChIInChI=1S/C10H13NO2/c1-2-8-6-9-10(7-11-8)13-5-3-4-12-9/h6-7H,2-5H2,1H3
InChIKeyHNOIKHKNIYVHPB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.81
Rot. Bonds1

About 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine

8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine (PubChem CID 89207197) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine.

Molecular Properties

Compound Name8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine
PubChem CID89207197
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine
SMILESCCc1cc2c(cn1)OCCCO2
InChIInChI=1S/C10H13NO2/c1-2-8-6-9-10(7-11-8)13-5-3-4-12-9/h6-7H,2-5H2,1H3
InChIKeyHNOIKHKNIYVHPB-UHFFFAOYSA-N
XLogP1.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine?
The IUPAC name of 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine (CID 89207197) is 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine.
What is the SMILES notation for 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine?
The canonical SMILES for 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine is CCc1cc2c(cn1)OCCCO2.
What is the InChIKey of 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine?
The InChIKey is HNOIKHKNIYVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-8-6-9-10(7-11-8)13-5-3-4-12-9/h6-7H,2-5H2,1H3.
What are the key properties of 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine?
8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine has a molecular weight of 179.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine is sourced from PubChem (CID 89207197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).