6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine

C15H13N — CID 158994739

IUPAC6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine
SMILESC1=CCC(C2=NC(=C3C=CC=C3)CC=C2)=C1
InChIInChI=1S/C15H13N/c1-2-7-12(6-1)14-10-5-11-15(16-14)13-8-3-4-9-13/h1-8,11H,9-10H2
InChIKeyJFFKCKYCXOBXMX-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.65
Rot. Bonds1

About 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine

6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine (PubChem CID 158994739) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine.

Molecular Properties

Compound Name6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine
PubChem CID158994739
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine
SMILESC1=CCC(C2=NC(=C3C=CC=C3)CC=C2)=C1
InChIInChI=1S/C15H13N/c1-2-7-12(6-1)14-10-5-11-15(16-14)13-8-3-4-9-13/h1-8,11H,9-10H2
InChIKeyJFFKCKYCXOBXMX-UHFFFAOYSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine?
The IUPAC name of 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine (CID 158994739) is 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine.
What is the SMILES notation for 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine?
The canonical SMILES for 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine is C1=CCC(C2=NC(=C3C=CC=C3)CC=C2)=C1.
What is the InChIKey of 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine?
The InChIKey is JFFKCKYCXOBXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-7-12(6-1)14-10-5-11-15(16-14)13-8-3-4-9-13/h1-8,11H,9-10H2.
What are the key properties of 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine?
6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine has a molecular weight of 207.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-1,3-dien-1-yl-2-cyclopenta-2,4-dien-1-ylidene-3H-pyridine is sourced from PubChem (CID 158994739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).