2,3-dihydrocyclopenta[b]pyrrole

C7H7N — CID 136591301

IUPAC2,3-dihydrocyclopenta[b]pyrrole
SMILESC1=CC2=NCCC2=C1
InChIInChI=1S/C7H7N/c1-2-6-4-5-8-7(6)3-1/h1-3H,4-5H2
InChIKeyCLDINRWPNGRMCO-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.33
Rot. Bonds

About 2,3-dihydrocyclopenta[b]pyrrole

2,3-dihydrocyclopenta[b]pyrrole (PubChem CID 136591301) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2,3-dihydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,3-dihydrocyclopenta[b]pyrrole
PubChem CID136591301
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2,3-dihydrocyclopenta[b]pyrrole
SMILESC1=CC2=NCCC2=C1
InChIInChI=1S/C7H7N/c1-2-6-4-5-8-7(6)3-1/h1-3H,4-5H2
InChIKeyCLDINRWPNGRMCO-UHFFFAOYSA-N
XLogP1.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclopenta[b]pyrrole?
The IUPAC name of 2,3-dihydrocyclopenta[b]pyrrole (CID 136591301) is 2,3-dihydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2,3-dihydrocyclopenta[b]pyrrole?
The canonical SMILES for 2,3-dihydrocyclopenta[b]pyrrole is C1=CC2=NCCC2=C1.
What is the InChIKey of 2,3-dihydrocyclopenta[b]pyrrole?
The InChIKey is CLDINRWPNGRMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-2-6-4-5-8-7(6)3-1/h1-3H,4-5H2.
What are the key properties of 2,3-dihydrocyclopenta[b]pyrrole?
2,3-dihydrocyclopenta[b]pyrrole has a molecular weight of 105.14 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclopenta[b]pyrrole is sourced from PubChem (CID 136591301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).