2-methoxy-1-azacyclododecene

C12H23NO — CID 12957742

IUPAC2-methoxy-1-azacyclododecene
SMILESCO/C1=N\CCCCCCCCCC1
InChIInChI=1S/C12H23NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-12/h2-11H2,1H3/b13-12-
InChIKeyHTXMFQPWGSNBBX-SEYXRHQNSA-N
MW197.32 g/mol
LogP3.56
Rot. Bonds

About 2-methoxy-1-azacyclododecene

2-methoxy-1-azacyclododecene (PubChem CID 12957742) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methoxy-1-azacyclododecene.

Molecular Properties

Compound Name2-methoxy-1-azacyclododecene
PubChem CID12957742
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methoxy-1-azacyclododecene
SMILESCO/C1=N\CCCCCCCCCC1
InChIInChI=1S/C12H23NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-12/h2-11H2,1H3/b13-12-
InChIKeyHTXMFQPWGSNBBX-SEYXRHQNSA-N
XLogP3.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-azacyclododecene?
The IUPAC name of 2-methoxy-1-azacyclododecene (CID 12957742) is 2-methoxy-1-azacyclododecene.
What is the SMILES notation for 2-methoxy-1-azacyclododecene?
The canonical SMILES for 2-methoxy-1-azacyclododecene is CO/C1=N\CCCCCCCCCC1.
What is the InChIKey of 2-methoxy-1-azacyclododecene?
The InChIKey is HTXMFQPWGSNBBX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-12/h2-11H2,1H3/b13-12-.
What are the key properties of 2-methoxy-1-azacyclododecene?
2-methoxy-1-azacyclododecene has a molecular weight of 197.32 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-azacyclododecene is sourced from PubChem (CID 12957742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).