(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine

C15H13N — CID 91868291

IUPAC(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
SMILESC1=C\C=C/C=C\c2ncccc2/C=C\C=C/1
InChIInChI=1S/C15H13N/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,10-7-,12-8-,14-10-,15-12+
InChIKeyRFVCKUHJWBNJHS-TVJDSUOKSA-N
MW207.28 g/mol
LogP3.79
Rot. Bonds

About (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine

(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine (PubChem CID 91868291) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine.

Molecular Properties

Compound Name(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
PubChem CID91868291
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
SMILESC1=C\C=C/C=C\c2ncccc2/C=C\C=C/1
InChIInChI=1S/C15H13N/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,10-7-,12-8-,14-10-,15-12+
InChIKeyRFVCKUHJWBNJHS-TVJDSUOKSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine?
The IUPAC name of (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine (CID 91868291) is (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine.
What is the SMILES notation for (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine?
The canonical SMILES for (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine is C1=C\C=C/C=C\c2ncccc2/C=C\C=C/1.
What is the InChIKey of (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine?
The InChIKey is RFVCKUHJWBNJHS-TVJDSUOKSA-N. The full InChI is InChI=1S/C15H13N/c1-2-4-6-8-12-15-14(10-7-5-3-1)11-9-13-16-15/h1-13H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,10-7-,12-8-,14-10-,15-12+.
What are the key properties of (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine?
(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine has a molecular weight of 207.28 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine is sourced from PubChem (CID 91868291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).