azacyclododecan-4-one

C11H21NO — CID 142319560

IUPACazacyclododecan-4-one
SMILESO=C1CCCCCCCCNCC1
InChIInChI=1S/C11H21NO/c13-11-7-5-3-1-2-4-6-9-12-10-8-11/h12H,1-10H2
InChIKeyUBQWDHQDTRNVGK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.28
Rot. Bonds

About azacyclododecan-4-one

azacyclododecan-4-one (PubChem CID 142319560) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is azacyclododecan-4-one.

Molecular Properties

Compound Nameazacyclododecan-4-one
PubChem CID142319560
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameazacyclododecan-4-one
SMILESO=C1CCCCCCCCNCC1
InChIInChI=1S/C11H21NO/c13-11-7-5-3-1-2-4-6-9-12-10-8-11/h12H,1-10H2
InChIKeyUBQWDHQDTRNVGK-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azacyclododecan-4-one 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

1,4,10,13-tetrazacyclooctadecane-7,16-dione
CID 156838374
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
cyclopentadecanone;morpholine
CID 163448684
azane;cyclononanone
CID 172719607
cyclohexane;cyclohexanone;sulfane
CID 175236228
azacyclododecane-2,5-dione
CID 118524921
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
lithium;cyclohexanone;hydride
CID 173089649
CID 162230812
CID 162230812
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561

Frequently Asked Questions

What is the IUPAC name of azacyclododecan-4-one?
The IUPAC name of azacyclododecan-4-one (CID 142319560) is azacyclododecan-4-one.
What is the SMILES notation for azacyclododecan-4-one?
The canonical SMILES for azacyclododecan-4-one is O=C1CCCCCCCCNCC1.
What is the InChIKey of azacyclododecan-4-one?
The InChIKey is UBQWDHQDTRNVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-11-7-5-3-1-2-4-6-9-12-10-8-11/h12H,1-10H2.
What are the key properties of azacyclododecan-4-one?
azacyclododecan-4-one has a molecular weight of 183.29 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azacyclododecan-4-one is sourced from PubChem (CID 142319560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).