1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile

C8H6N2 — CID 19756184

IUPAC1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile
SMILESN#CC1=CC2=CNCC2=C1
InChIInChI=1S/C8H6N2/c9-3-6-1-7-4-10-5-8(7)2-6/h1-2,4,10H,5H2
InChIKeyXJRFIUGTNJJYDS-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.86
Rot. Bonds

About 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile

1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile (PubChem CID 19756184) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile.

Molecular Properties

Compound Name1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile
PubChem CID19756184
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile
SMILESN#CC1=CC2=CNCC2=C1
InChIInChI=1S/C8H6N2/c9-3-6-1-7-4-10-5-8(7)2-6/h1-2,4,10H,5H2
InChIKeyXJRFIUGTNJJYDS-UHFFFAOYSA-N
XLogP0.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile?
The IUPAC name of 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile (CID 19756184) is 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile.
What is the SMILES notation for 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile?
The canonical SMILES for 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile is N#CC1=CC2=CNCC2=C1.
What is the InChIKey of 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile?
The InChIKey is XJRFIUGTNJJYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c9-3-6-1-7-4-10-5-8(7)2-6/h1-2,4,10H,5H2.
What are the key properties of 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile?
1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile has a molecular weight of 130.15 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrocyclopenta[c]pyrrole-5-carbonitrile is sourced from PubChem (CID 19756184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).