2-naphthalen-1-ylcyclopenta[b]pyrrole

C17H11N — CID 66896042

IUPAC2-naphthalen-1-ylcyclopenta[b]pyrrole
SMILESC1=CC2=NC(c3cccc4ccccc34)=CC2=C1
InChIInChI=1S/C17H11N/c1-2-8-14-12(5-1)6-3-9-15(14)17-11-13-7-4-10-16(13)18-17/h1-11H
InChIKeyMUXRZZVSOGJOJS-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.13
Rot. Bonds1

About 2-naphthalen-1-ylcyclopenta[b]pyrrole

2-naphthalen-1-ylcyclopenta[b]pyrrole (PubChem CID 66896042) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-naphthalen-1-ylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-naphthalen-1-ylcyclopenta[b]pyrrole
PubChem CID66896042
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name2-naphthalen-1-ylcyclopenta[b]pyrrole
SMILESC1=CC2=NC(c3cccc4ccccc34)=CC2=C1
InChIInChI=1S/C17H11N/c1-2-8-14-12(5-1)6-3-9-15(14)17-11-13-7-4-10-16(13)18-17/h1-11H
InChIKeyMUXRZZVSOGJOJS-UHFFFAOYSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylcyclopenta[b]pyrrole?
The IUPAC name of 2-naphthalen-1-ylcyclopenta[b]pyrrole (CID 66896042) is 2-naphthalen-1-ylcyclopenta[b]pyrrole.
What is the SMILES notation for 2-naphthalen-1-ylcyclopenta[b]pyrrole?
The canonical SMILES for 2-naphthalen-1-ylcyclopenta[b]pyrrole is C1=CC2=NC(c3cccc4ccccc34)=CC2=C1.
What is the InChIKey of 2-naphthalen-1-ylcyclopenta[b]pyrrole?
The InChIKey is MUXRZZVSOGJOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-8-14-12(5-1)6-3-9-15(14)17-11-13-7-4-10-16(13)18-17/h1-11H.
What are the key properties of 2-naphthalen-1-ylcyclopenta[b]pyrrole?
2-naphthalen-1-ylcyclopenta[b]pyrrole has a molecular weight of 229.28 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylcyclopenta[b]pyrrole is sourced from PubChem (CID 66896042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).