azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone

C12H19NO2 — CID 71926691

IUPACazepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)N1CCCCCC1
InChIInChI=1S/C12H19NO2/c14-12(11-7-3-6-10-15-11)13-8-4-1-2-5-9-13/h7H,1-6,8-10H2
InChIKeyMXQHAIWFBSKFDW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.08
Rot. Bonds1

About azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone

azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 71926691) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID71926691
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameazepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)N1CCCCCC1
InChIInChI=1S/C12H19NO2/c14-12(11-7-3-6-10-15-11)13-8-4-1-2-5-9-13/h7H,1-6,8-10H2
InChIKeyMXQHAIWFBSKFDW-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 86777891
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 95904492
cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646907
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
3-cyano-N-[4-(3,4-dihydro-2H-pyran-6-carbonyl)-1-oxo-1,4-thiazepan-1-ylidene]-4-methylbenzamide
CID 166433579
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
1-(3,4-dihydro-2H-pyran-6-yl)ethenol
CID 101235148
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 71926691) is azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is MXQHAIWFBSKFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(11-7-3-6-10-15-11)13-8-4-1-2-5-9-13/h7H,1-6,8-10H2.
What are the key properties of azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 71926691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).