2-cyclopenta-1,3-dien-1-yl-1H-pyrrole

C9H9N — CID 67416805

IUPAC2-cyclopenta-1,3-dien-1-yl-1H-pyrrole
SMILESC1=CCC(c2ccc[nH]2)=C1
InChIInChI=1S/C9H9N/c1-2-5-8(4-1)9-6-3-7-10-9/h1-4,6-7,10H,5H2
InChIKeyCKVSNYVIONRHLI-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.36
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole

2-cyclopenta-1,3-dien-1-yl-1H-pyrrole (PubChem CID 67416805) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1H-pyrrole
PubChem CID67416805
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1H-pyrrole
SMILESC1=CCC(c2ccc[nH]2)=C1
InChIInChI=1S/C9H9N/c1-2-5-8(4-1)9-6-3-7-10-9/h1-4,6-7,10H,5H2
InChIKeyCKVSNYVIONRHLI-UHFFFAOYSA-N
XLogP2.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole (CID 67416805) is 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole is C1=CCC(c2ccc[nH]2)=C1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole?
The InChIKey is CKVSNYVIONRHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-5-8(4-1)9-6-3-7-10-9/h1-4,6-7,10H,5H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole?
2-cyclopenta-1,3-dien-1-yl-1H-pyrrole has a molecular weight of 131.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1H-pyrrole is sourced from PubChem (CID 67416805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).