1-(naphthalen-2-ylmethyl)pyrrole

C15H13N — CID 15207344

IUPAC1-(naphthalen-2-ylmethyl)pyrrole
SMILESc1ccc2cc(Cn3cccc3)ccc2c1
InChIInChI=1S/C15H13N/c1-2-6-15-11-13(7-8-14(15)5-1)12-16-9-3-4-10-16/h1-11H,12H2
InChIKeyUFRDCQSXFDTUTI-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.69
Rot. Bonds2

About 1-(naphthalen-2-ylmethyl)pyrrole

1-(naphthalen-2-ylmethyl)pyrrole (PubChem CID 15207344) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)pyrrole.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)pyrrole
PubChem CID15207344
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1-(naphthalen-2-ylmethyl)pyrrole
SMILESc1ccc2cc(Cn3cccc3)ccc2c1
InChIInChI=1S/C15H13N/c1-2-6-15-11-13(7-8-14(15)5-1)12-16-9-3-4-10-16/h1-11H,12H2
InChIKeyUFRDCQSXFDTUTI-UHFFFAOYSA-N
XLogP3.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)pyrrole?
The IUPAC name of 1-(naphthalen-2-ylmethyl)pyrrole (CID 15207344) is 1-(naphthalen-2-ylmethyl)pyrrole.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)pyrrole?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)pyrrole is c1ccc2cc(Cn3cccc3)ccc2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)pyrrole?
The InChIKey is UFRDCQSXFDTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-6-15-11-13(7-8-14(15)5-1)12-16-9-3-4-10-16/h1-11H,12H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)pyrrole?
1-(naphthalen-2-ylmethyl)pyrrole has a molecular weight of 207.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)pyrrole is sourced from PubChem (CID 15207344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).