2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol

C13H13NO — CID 23028027

IUPAC2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
SMILESCn1cccc1/C=C/c1ccccc1O
InChIInChI=1S/C13H13NO/c1-14-10-4-6-12(14)9-8-11-5-2-3-7-13(11)15/h2-10,15H,1H3/b9-8+
InChIKeyYGABWFQOQDPVTF-CMDGGOBGSA-N
MW199.25 g/mol
LogP2.90
Rot. Bonds2

About 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol

2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol (PubChem CID 23028027) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
PubChem CID23028027
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
SMILESCn1cccc1/C=C/c1ccccc1O
InChIInChI=1S/C13H13NO/c1-14-10-4-6-12(14)9-8-11-5-2-3-7-13(11)15/h2-10,15H,1H3/b9-8+
InChIKeyYGABWFQOQDPVTF-CMDGGOBGSA-N
XLogP2.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol?
The IUPAC name of 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol (CID 23028027) is 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol is Cn1cccc1/C=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol?
The InChIKey is YGABWFQOQDPVTF-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H13NO/c1-14-10-4-6-12(14)9-8-11-5-2-3-7-13(11)15/h2-10,15H,1H3/b9-8+.
What are the key properties of 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol?
2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol has a molecular weight of 199.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol is sourced from PubChem (CID 23028027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).