phenyl(1H-pyrrol-3-yl)methanone

C11H9NO — CID 2773234

IUPACphenyl(1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1)c1cc[nH]c1
InChIInChI=1S/C11H9NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,12H
InChIKeyDSNSKSWTLGZGAN-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.25
Rot. Bonds2

About phenyl(1H-pyrrol-3-yl)methanone

phenyl(1H-pyrrol-3-yl)methanone (PubChem CID 2773234) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is phenyl(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namephenyl(1H-pyrrol-3-yl)methanone
PubChem CID2773234
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Namephenyl(1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1)c1cc[nH]c1
InChIInChI=1S/C11H9NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,12H
InChIKeyDSNSKSWTLGZGAN-UHFFFAOYSA-N
XLogP2.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl(1H-pyrrol-3-yl)methanone?
The IUPAC name of phenyl(1H-pyrrol-3-yl)methanone (CID 2773234) is phenyl(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for phenyl(1H-pyrrol-3-yl)methanone?
The canonical SMILES for phenyl(1H-pyrrol-3-yl)methanone is O=C(c1ccccc1)c1cc[nH]c1.
What is the InChIKey of phenyl(1H-pyrrol-3-yl)methanone?
The InChIKey is DSNSKSWTLGZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-8,12H.
What are the key properties of phenyl(1H-pyrrol-3-yl)methanone?
phenyl(1H-pyrrol-3-yl)methanone has a molecular weight of 171.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 2773234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).