5-cyclohexa-1,5-dien-1-yl-2H-pyrrole

C10H11N — CID 66611165

IUPAC5-cyclohexa-1,5-dien-1-yl-2H-pyrrole
SMILESC1=CC(C2=NCC=C2)=CCC1
InChIInChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h2,4-7H,1,3,8H2
InChIKeyZTGKMDHBAPYLPU-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.27
Rot. Bonds1

About 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole

5-cyclohexa-1,5-dien-1-yl-2H-pyrrole (PubChem CID 66611165) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-2H-pyrrole
PubChem CID66611165
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name5-cyclohexa-1,5-dien-1-yl-2H-pyrrole
SMILESC1=CC(C2=NCC=C2)=CCC1
InChIInChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h2,4-7H,1,3,8H2
InChIKeyZTGKMDHBAPYLPU-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole (CID 66611165) is 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole is C1=CC(C2=NCC=C2)=CCC1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole?
The InChIKey is ZTGKMDHBAPYLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h2,4-7H,1,3,8H2.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole?
5-cyclohexa-1,5-dien-1-yl-2H-pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-2H-pyrrole is sourced from PubChem (CID 66611165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).