azacycloundecane-2,11-dione

C10H17NO2 — CID 53438384

IUPACazacycloundecane-2,11-dione
SMILESO=C1CCCCCCCCC(=O)N1
InChIInChI=1S/C10H17NO2/c12-9-7-5-3-1-2-4-6-8-10(13)11-9/h1-8H2,(H,11,12,13)
InChIKeyVRQBDNAOTUKKIG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.76
Rot. Bonds

About azacycloundecane-2,11-dione

azacycloundecane-2,11-dione (PubChem CID 53438384) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is azacycloundecane-2,11-dione.

Molecular Properties

Compound Nameazacycloundecane-2,11-dione
PubChem CID53438384
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameazacycloundecane-2,11-dione
SMILESO=C1CCCCCCCCC(=O)N1
InChIInChI=1S/C10H17NO2/c12-9-7-5-3-1-2-4-6-8-10(13)11-9/h1-8H2,(H,11,12,13)
InChIKeyVRQBDNAOTUKKIG-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azacycloundecane-2,11-dione?
The IUPAC name of azacycloundecane-2,11-dione (CID 53438384) is azacycloundecane-2,11-dione.
What is the SMILES notation for azacycloundecane-2,11-dione?
The canonical SMILES for azacycloundecane-2,11-dione is O=C1CCCCCCCCC(=O)N1.
What is the InChIKey of azacycloundecane-2,11-dione?
The InChIKey is VRQBDNAOTUKKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9-7-5-3-1-2-4-6-8-10(13)11-9/h1-8H2,(H,11,12,13).
What are the key properties of azacycloundecane-2,11-dione?
azacycloundecane-2,11-dione has a molecular weight of 183.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azacycloundecane-2,11-dione is sourced from PubChem (CID 53438384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).