(4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone

C15H11NOS — CID 7285300

IUPAC(4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C15H11NOS/c17-15(14-7-4-8-18-14)13-10-16-9-12(13)11-5-2-1-3-6-11/h1-10,16H
InChIKeyMZFMFMYTUJBQOK-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.97
Rot. Bonds3

About (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone

(4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone (PubChem CID 7285300) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone
PubChem CID7285300
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name(4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C15H11NOS/c17-15(14-7-4-8-18-14)13-10-16-9-12(13)11-5-2-1-3-6-11/h1-10,16H
InChIKeyMZFMFMYTUJBQOK-UHFFFAOYSA-N
XLogP3.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone (CID 7285300) is (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1c[nH]cc1-c1ccccc1.
What is the InChIKey of (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone?
The InChIKey is MZFMFMYTUJBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-15(14-7-4-8-18-14)13-10-16-9-12(13)11-5-2-1-3-6-11/h1-10,16H.
What are the key properties of (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone?
(4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone has a molecular weight of 253.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1H-pyrrol-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 7285300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).