phenol;1H-pyrrole

C10H11NO — CID 68883385

IUPACphenol;1H-pyrrole
SMILESOc1ccccc1.c1cc[nH]c1
InChIInChI=1S/C6H6O.C4H5N/c7-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5,7H;1-5H
InChIKeyXXJCIKFGBQWORV-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.41
Rot. Bonds

About phenol;1H-pyrrole

phenol;1H-pyrrole (PubChem CID 68883385) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is phenol;1H-pyrrole.

Molecular Properties

Compound Namephenol;1H-pyrrole
PubChem CID68883385
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Namephenol;1H-pyrrole
SMILESOc1ccccc1.c1cc[nH]c1
InChIInChI=1S/C6H6O.C4H5N/c7-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5,7H;1-5H
InChIKeyXXJCIKFGBQWORV-UHFFFAOYSA-N
XLogP2.41
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenol;1H-pyrrole?
The IUPAC name of phenol;1H-pyrrole (CID 68883385) is phenol;1H-pyrrole.
What is the SMILES notation for phenol;1H-pyrrole?
The canonical SMILES for phenol;1H-pyrrole is Oc1ccccc1.c1cc[nH]c1.
What is the InChIKey of phenol;1H-pyrrole?
The InChIKey is XXJCIKFGBQWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H5N/c7-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5,7H;1-5H.
What are the key properties of phenol;1H-pyrrole?
phenol;1H-pyrrole has a molecular weight of 161.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1H-pyrrole is sourced from PubChem (CID 68883385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).