phenyl(pyrrol-1-yl)methanone

C11H9NO — CID 640314

IUPACphenyl(pyrrol-1-yl)methanone
SMILESO=C(c1ccccc1)n1cccc1
InChIInChI=1S/C11H9NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-9H
InChIKeyJAFHHNYLLHRTIT-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.18
Rot. Bonds1

About phenyl(pyrrol-1-yl)methanone

phenyl(pyrrol-1-yl)methanone (PubChem CID 640314) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is phenyl(pyrrol-1-yl)methanone.

Molecular Properties

Compound Namephenyl(pyrrol-1-yl)methanone
PubChem CID640314
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Namephenyl(pyrrol-1-yl)methanone
SMILESO=C(c1ccccc1)n1cccc1
InChIInChI=1S/C11H9NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-9H
InChIKeyJAFHHNYLLHRTIT-UHFFFAOYSA-N
XLogP2.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyrrol-1-yl)methanone?
The IUPAC name of phenyl(pyrrol-1-yl)methanone (CID 640314) is phenyl(pyrrol-1-yl)methanone.
What is the SMILES notation for phenyl(pyrrol-1-yl)methanone?
The canonical SMILES for phenyl(pyrrol-1-yl)methanone is O=C(c1ccccc1)n1cccc1.
What is the InChIKey of phenyl(pyrrol-1-yl)methanone?
The InChIKey is JAFHHNYLLHRTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-9H.
What are the key properties of phenyl(pyrrol-1-yl)methanone?
phenyl(pyrrol-1-yl)methanone has a molecular weight of 171.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyrrol-1-yl)methanone is sourced from PubChem (CID 640314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).