3-naphthalen-1-yl-1H-pyrrole

C14H11N — CID 19602051

IUPAC3-naphthalen-1-yl-1H-pyrrole
SMILESc1ccc2c(-c3cc[nH]c3)cccc2c1
InChIInChI=1S/C14H11N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-10,15H
InChIKeyMVZGPBJYYQDJGD-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.83
Rot. Bonds1

About 3-naphthalen-1-yl-1H-pyrrole

3-naphthalen-1-yl-1H-pyrrole (PubChem CID 19602051) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1H-pyrrole.

Molecular Properties

Compound Name3-naphthalen-1-yl-1H-pyrrole
PubChem CID19602051
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name3-naphthalen-1-yl-1H-pyrrole
SMILESc1ccc2c(-c3cc[nH]c3)cccc2c1
InChIInChI=1S/C14H11N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-10,15H
InChIKeyMVZGPBJYYQDJGD-UHFFFAOYSA-N
XLogP3.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1H-pyrrole?
The IUPAC name of 3-naphthalen-1-yl-1H-pyrrole (CID 19602051) is 3-naphthalen-1-yl-1H-pyrrole.
What is the SMILES notation for 3-naphthalen-1-yl-1H-pyrrole?
The canonical SMILES for 3-naphthalen-1-yl-1H-pyrrole is c1ccc2c(-c3cc[nH]c3)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-1H-pyrrole?
The InChIKey is MVZGPBJYYQDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-10,15H.
What are the key properties of 3-naphthalen-1-yl-1H-pyrrole?
3-naphthalen-1-yl-1H-pyrrole has a molecular weight of 193.25 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1H-pyrrole is sourced from PubChem (CID 19602051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).