azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone

C13H21NO — CID 79600645

IUPACazepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
SMILESO=C(C1C2CCCC21)N1CCCCCC1
InChIInChI=1S/C13H21NO/c15-13(12-10-6-5-7-11(10)12)14-8-3-1-2-4-9-14/h10-12H,1-9H2
InChIKeyUWSSQKVCQPLMGM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds1

About azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone

azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone (PubChem CID 79600645) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
PubChem CID79600645
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameazepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
SMILESO=C(C1C2CCCC21)N1CCCCCC1
InChIInChI=1S/C13H21NO/c15-13(12-10-6-5-7-11(10)12)14-8-3-1-2-4-9-14/h10-12H,1-9H2
InChIKeyUWSSQKVCQPLMGM-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 100633380
7-bicyclo[4.1.0]heptanyl-(4,4-difluoropiperidin-1-yl)methanone
CID 119040064
7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone
CID 71984604
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
6-bicyclo[3.1.0]hexanyl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304314
ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
CID 79140194
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
(1S,2S,3R,4S)-3-(azepane-1-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98140427
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
CID 120727386
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
CID 99849066

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
The IUPAC name of azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone (CID 79600645) is azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone.
What is the SMILES notation for azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
The canonical SMILES for azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone is O=C(C1C2CCCC21)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
The InChIKey is UWSSQKVCQPLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(12-10-6-5-7-11(10)12)14-8-3-1-2-4-9-14/h10-12H,1-9H2.
What are the key properties of azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone?
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone is sourced from PubChem (CID 79600645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).