6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine

C10H11N — CID 91482385

IUPAC6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
SMILESC1=CCC(C2=CCCC=N2)=C1
InChIInChI=1S/C10H11N/c1-2-6-9(5-1)10-7-3-4-8-11-10/h1-2,5,7-8H,3-4,6H2
InChIKeyCPCHOTBWHHWHCL-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.62
Rot. Bonds1

About 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine

6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine (PubChem CID 91482385) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
PubChem CID91482385
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
SMILESC1=CCC(C2=CCCC=N2)=C1
InChIInChI=1S/C10H11N/c1-2-6-9(5-1)10-7-3-4-8-11-10/h1-2,5,7-8H,3-4,6H2
InChIKeyCPCHOTBWHHWHCL-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.62
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-3,4-dihydropyridine?
The IUPAC name of 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine (CID 91482385) is 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine?
The canonical SMILES for 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine is C1=CCC(C2=CCCC=N2)=C1.
What is the InChIKey of 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine?
The InChIKey is CPCHOTBWHHWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-6-9(5-1)10-7-3-4-8-11-10/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine?
6-cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine has a molecular weight of 145.20 g/mol, XLogP of 2.62, 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-3,4-dihydropyridine is sourced from PubChem (CID 91482385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).