5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

C8H11NO — CID 12946558

IUPAC5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
SMILESc1cc2c(o1)CCCNC2
InChIInChI=1S/C8H11NO/c1-2-8-7(3-5-10-8)6-9-4-1/h3,5,9H,1-2,4,6H2
InChIKeyINHBEZLAWKRIEI-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.32
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine (PubChem CID 12946558) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
PubChem CID12946558
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine
SMILESc1cc2c(o1)CCCNC2
InChIInChI=1S/C8H11NO/c1-2-8-7(3-5-10-8)6-9-4-1/h3,5,9H,1-2,4,6H2
InChIKeyINHBEZLAWKRIEI-UHFFFAOYSA-N
XLogP1.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine (CID 12946558) is 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine is c1cc2c(o1)CCCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
The InChIKey is INHBEZLAWKRIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-8-7(3-5-10-8)6-9-4-1/h3,5,9H,1-2,4,6H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine?
5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine has a molecular weight of 137.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine is sourced from PubChem (CID 12946558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).