cyclopenta-1,3-diene;2H-pyrrole

C9H11N — CID 90042957

IUPACcyclopenta-1,3-diene;2H-pyrrole
SMILESC1=CCC=C1.C1=CCN=C1
InChIInChI=1S/C5H6.C4H5N/c2*1-2-4-5-3-1/h1-4H,5H2;1-3H,4H2
InChIKeyWSVUPMYGOGRLTC-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds

About cyclopenta-1,3-diene;2H-pyrrole

cyclopenta-1,3-diene;2H-pyrrole (PubChem CID 90042957) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2H-pyrrole.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2H-pyrrole
PubChem CID90042957
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Namecyclopenta-1,3-diene;2H-pyrrole
SMILESC1=CCC=C1.C1=CCN=C1
InChIInChI=1S/C5H6.C4H5N/c2*1-2-4-5-3-1/h1-4H,5H2;1-3H,4H2
InChIKeyWSVUPMYGOGRLTC-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2H-pyrrole?
The IUPAC name of cyclopenta-1,3-diene;2H-pyrrole (CID 90042957) is cyclopenta-1,3-diene;2H-pyrrole.
What is the SMILES notation for cyclopenta-1,3-diene;2H-pyrrole?
The canonical SMILES for cyclopenta-1,3-diene;2H-pyrrole is C1=CCC=C1.C1=CCN=C1.
What is the InChIKey of cyclopenta-1,3-diene;2H-pyrrole?
The InChIKey is WSVUPMYGOGRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C4H5N/c2*1-2-4-5-3-1/h1-4H,5H2;1-3H,4H2.
What are the key properties of cyclopenta-1,3-diene;2H-pyrrole?
cyclopenta-1,3-diene;2H-pyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2H-pyrrole is sourced from PubChem (CID 90042957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).