2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole

C16H13N — CID 19779726

IUPAC2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole
SMILESC(=C/c1cccc2ccccc12)\c1ccc[nH]1
InChIInChI=1S/C16H13N/c1-2-9-16-13(5-1)6-3-7-14(16)10-11-15-8-4-12-17-15/h1-12,17H/b11-10+
InChIKeyVLNUHLGWQBSDLU-ZHACJKMWSA-N
MW219.29 g/mol
LogP4.34
Rot. Bonds2

About 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole

2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole (PubChem CID 19779726) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole
PubChem CID19779726
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole
SMILESC(=C/c1cccc2ccccc12)\c1ccc[nH]1
InChIInChI=1S/C16H13N/c1-2-9-16-13(5-1)6-3-7-14(16)10-11-15-8-4-12-17-15/h1-12,17H/b11-10+
InChIKeyVLNUHLGWQBSDLU-ZHACJKMWSA-N
XLogP4.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole?
The IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole (CID 19779726) is 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole.
What is the SMILES notation for 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole?
The canonical SMILES for 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole is C(=C/c1cccc2ccccc12)\c1ccc[nH]1.
What is the InChIKey of 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole?
The InChIKey is VLNUHLGWQBSDLU-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13N/c1-2-9-16-13(5-1)6-3-7-14(16)10-11-15-8-4-12-17-15/h1-12,17H/b11-10+.
What are the key properties of 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole?
2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole has a molecular weight of 219.29 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-naphthalen-1-ylethenyl]-1H-pyrrole is sourced from PubChem (CID 19779726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).