4-(furan-3-yl)azepane

C10H15NO — CID 83262129

IUPAC4-(furan-3-yl)azepane
SMILESc1cc(C2CCCNCC2)co1
InChIInChI=1S/C10H15NO/c1-2-9(3-6-11-5-1)10-4-7-12-8-10/h4,7-9,11H,1-3,5-6H2
InChIKeyFPKBAZBBBLPHLE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.14
Rot. Bonds1

About 4-(furan-3-yl)azepane

4-(furan-3-yl)azepane (PubChem CID 83262129) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(furan-3-yl)azepane.

Molecular Properties

Compound Name4-(furan-3-yl)azepane
PubChem CID83262129
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(furan-3-yl)azepane
SMILESc1cc(C2CCCNCC2)co1
InChIInChI=1S/C10H15NO/c1-2-9(3-6-11-5-1)10-4-7-12-8-10/h4,7-9,11H,1-3,5-6H2
InChIKeyFPKBAZBBBLPHLE-UHFFFAOYSA-N
XLogP2.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)azepane?
The IUPAC name of 4-(furan-3-yl)azepane (CID 83262129) is 4-(furan-3-yl)azepane.
What is the SMILES notation for 4-(furan-3-yl)azepane?
The canonical SMILES for 4-(furan-3-yl)azepane is c1cc(C2CCCNCC2)co1.
What is the InChIKey of 4-(furan-3-yl)azepane?
The InChIKey is FPKBAZBBBLPHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-9(3-6-11-5-1)10-4-7-12-8-10/h4,7-9,11H,1-3,5-6H2.
What are the key properties of 4-(furan-3-yl)azepane?
4-(furan-3-yl)azepane has a molecular weight of 165.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)azepane is sourced from PubChem (CID 83262129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).