azepan-2-yl(2,3-dihydrofuran-5-yl)methanone

C11H17NO2 — CID 102652517

IUPACazepan-2-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CCCCCN1
InChIInChI=1S/C11H17NO2/c13-11(10-6-4-8-14-10)9-5-2-1-3-7-12-9/h6,9,12H,1-5,7-8H2
InChIKeyAJVDDUVKDWMBAK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About azepan-2-yl(2,3-dihydrofuran-5-yl)methanone

azepan-2-yl(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102652517) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is azepan-2-yl(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl(2,3-dihydrofuran-5-yl)methanone
PubChem CID102652517
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameazepan-2-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CCCCCN1
InChIInChI=1S/C11H17NO2/c13-11(10-6-4-8-14-10)9-5-2-1-3-7-12-9/h6,9,12H,1-5,7-8H2
InChIKeyAJVDDUVKDWMBAK-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of azepan-2-yl(2,3-dihydrofuran-5-yl)methanone (CID 102652517) is azepan-2-yl(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for azepan-2-yl(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for azepan-2-yl(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is AJVDDUVKDWMBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(10-6-4-8-14-10)9-5-2-1-3-7-12-9/h6,9,12H,1-5,7-8H2.
What are the key properties of azepan-2-yl(2,3-dihydrofuran-5-yl)methanone?
azepan-2-yl(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 195.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102652517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).