2-ethenyl-1-azacycloundecene

C12H21N — CID 118247983

IUPAC2-ethenyl-1-azacycloundecene
SMILESC=C/C1=N/CCCCCCCCC1
InChIInChI=1S/C12H21N/c1-2-12-10-8-6-4-3-5-7-9-11-13-12/h2H,1,3-11H2/b13-12-
InChIKeyXROLPNFVAOJSTM-SEYXRHQNSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds1

About 2-ethenyl-1-azacycloundecene

2-ethenyl-1-azacycloundecene (PubChem CID 118247983) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-ethenyl-1-azacycloundecene.

Molecular Properties

Compound Name2-ethenyl-1-azacycloundecene
PubChem CID118247983
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-ethenyl-1-azacycloundecene
SMILESC=C/C1=N/CCCCCCCCC1
InChIInChI=1S/C12H21N/c1-2-12-10-8-6-4-3-5-7-9-11-13-12/h2H,1,3-11H2/b13-12-
InChIKeyXROLPNFVAOJSTM-SEYXRHQNSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-azacycloundecene?
The IUPAC name of 2-ethenyl-1-azacycloundecene (CID 118247983) is 2-ethenyl-1-azacycloundecene.
What is the SMILES notation for 2-ethenyl-1-azacycloundecene?
The canonical SMILES for 2-ethenyl-1-azacycloundecene is C=C/C1=N/CCCCCCCCC1.
What is the InChIKey of 2-ethenyl-1-azacycloundecene?
The InChIKey is XROLPNFVAOJSTM-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H21N/c1-2-12-10-8-6-4-3-5-7-9-11-13-12/h2H,1,3-11H2/b13-12-.
What are the key properties of 2-ethenyl-1-azacycloundecene?
2-ethenyl-1-azacycloundecene has a molecular weight of 179.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-azacycloundecene is sourced from PubChem (CID 118247983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).