3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine

C8H15NO — CID 83669058

IUPAC3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine
SMILESC1CC2COCC2CCN1
InChIInChI=1S/C8H15NO/c1-3-9-4-2-8-6-10-5-7(1)8/h7-9H,1-6H2
InChIKeyJBCCWOYWHGRDNQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds

About 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine

3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine (PubChem CID 83669058) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine.

Molecular Properties

Compound Name3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine
PubChem CID83669058
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine
SMILESC1CC2COCC2CCN1
InChIInChI=1S/C8H15NO/c1-3-9-4-2-8-6-10-5-7(1)8/h7-9H,1-6H2
InChIKeyJBCCWOYWHGRDNQ-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine?
The IUPAC name of 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine (CID 83669058) is 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine.
What is the SMILES notation for 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine?
The canonical SMILES for 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine is C1CC2COCC2CCN1.
What is the InChIKey of 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine?
The InChIKey is JBCCWOYWHGRDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-4-2-8-6-10-5-7(1)8/h7-9H,1-6H2.
What are the key properties of 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine?
3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine has a molecular weight of 141.21 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,7,8,8a-octahydro-1H-furo[3,4-d]azepine is sourced from PubChem (CID 83669058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).