4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C13H19NO — CID 165470197

IUPAC4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCCC1(C2NCCc3occc32)CCC1
InChIInChI=1S/C13H19NO/c1-2-13(6-3-7-13)12-10-5-9-15-11(10)4-8-14-12/h5,9,12,14H,2-4,6-8H2,1H3
InChIKeyVIQAEXNVXLZGTF-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.05
Rot. Bonds2

About 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 165470197) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID165470197
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCCC1(C2NCCc3occc32)CCC1
InChIInChI=1S/C13H19NO/c1-2-13(6-3-7-13)12-10-5-9-15-11(10)4-8-14-12/h5,9,12,14H,2-4,6-8H2,1H3
InChIKeyVIQAEXNVXLZGTF-UHFFFAOYSA-N
XLogP3.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 165470197) is 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is CCC1(C2NCCc3occc32)CCC1.
What is the InChIKey of 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is VIQAEXNVXLZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(6-3-7-13)12-10-5-9-15-11(10)4-8-14-12/h5,9,12,14H,2-4,6-8H2,1H3.
What are the key properties of 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 205.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 165470197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).