azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone

C12H19NO2 — CID 102648393

IUPACazepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCCCN1
InChIInChI=1S/C12H19NO2/c14-12(11-7-3-5-9-15-11)10-6-2-1-4-8-13-10/h7,10,13H,1-6,8-9H2
InChIKeyUZMXDVFGXIOPNB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds2

About azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone

azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648393) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648393
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameazepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCCCN1
InChIInChI=1S/C12H19NO2/c14-12(11-7-3-5-9-15-11)10-6-2-1-4-8-13-10/h7,10,13H,1-6,8-9H2
InChIKeyUZMXDVFGXIOPNB-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648393) is azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CCCCCN1.
What is the InChIKey of azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is UZMXDVFGXIOPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(11-7-3-5-9-15-11)10-6-2-1-4-8-13-10/h7,10,13H,1-6,8-9H2.
What are the key properties of azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).