azepan-1-yl(furan-2-yl)methanone

C11H15NO2 — CID 5200992

IUPACazepan-1-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCCCC1
InChIInChI=1S/C11H15NO2/c13-11(10-6-5-9-14-10)12-7-3-1-2-4-8-12/h5-6,9H,1-4,7-8H2
InChIKeyKQDLQXUKRQCGOE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.30
Rot. Bonds1

About azepan-1-yl(furan-2-yl)methanone

azepan-1-yl(furan-2-yl)methanone (PubChem CID 5200992) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is azepan-1-yl(furan-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(furan-2-yl)methanone
PubChem CID5200992
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameazepan-1-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCCCC1
InChIInChI=1S/C11H15NO2/c13-11(10-6-5-9-14-10)12-7-3-1-2-4-8-12/h5-6,9H,1-4,7-8H2
InChIKeyKQDLQXUKRQCGOE-UHFFFAOYSA-N
XLogP2.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(furan-2-yl)methanone?
The IUPAC name of azepan-1-yl(furan-2-yl)methanone (CID 5200992) is azepan-1-yl(furan-2-yl)methanone.
What is the SMILES notation for azepan-1-yl(furan-2-yl)methanone?
The canonical SMILES for azepan-1-yl(furan-2-yl)methanone is O=C(c1ccco1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(furan-2-yl)methanone?
The InChIKey is KQDLQXUKRQCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(10-6-5-9-14-10)12-7-3-1-2-4-8-12/h5-6,9H,1-4,7-8H2.
What are the key properties of azepan-1-yl(furan-2-yl)methanone?
azepan-1-yl(furan-2-yl)methanone has a molecular weight of 193.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(furan-2-yl)methanone is sourced from PubChem (CID 5200992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).