1-azacyclododeca-11,12-diene

C11H19N — CID 174857129

IUPAC1-azacyclododeca-11,12-diene
SMILESC1=CCCCCCCCCCN=1
InChIInChI=1S/C11H19N/c1-2-4-6-8-10-12-11-9-7-5-3-1/h8H,1-7,9,11H2
InChIKeyJOJWGEWQYHAEBR-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.35
Rot. Bonds

About 1-azacyclododeca-11,12-diene

1-azacyclododeca-11,12-diene (PubChem CID 174857129) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-azacyclododeca-11,12-diene.

Molecular Properties

Compound Name1-azacyclododeca-11,12-diene
PubChem CID174857129
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-azacyclododeca-11,12-diene
SMILESC1=CCCCCCCCCCN=1
InChIInChI=1S/C11H19N/c1-2-4-6-8-10-12-11-9-7-5-3-1/h8H,1-7,9,11H2
InChIKeyJOJWGEWQYHAEBR-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azacyclododeca-11,12-diene?
The IUPAC name of 1-azacyclododeca-11,12-diene (CID 174857129) is 1-azacyclododeca-11,12-diene.
What is the SMILES notation for 1-azacyclododeca-11,12-diene?
The canonical SMILES for 1-azacyclododeca-11,12-diene is C1=CCCCCCCCCCN=1.
What is the InChIKey of 1-azacyclododeca-11,12-diene?
The InChIKey is JOJWGEWQYHAEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-6-8-10-12-11-9-7-5-3-1/h8H,1-7,9,11H2.
What are the key properties of 1-azacyclododeca-11,12-diene?
1-azacyclododeca-11,12-diene has a molecular weight of 165.28 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclododeca-11,12-diene is sourced from PubChem (CID 174857129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).