1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone

C16H14N2O — CID 3598277

IUPAC1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2)c[nH]c1-c1ccc[nH]1
InChIInChI=1S/C16H14N2O/c1-11(19)15-13(12-6-3-2-4-7-12)10-18-16(15)14-8-5-9-17-14/h2-10,17-18H,1H3
InChIKeyWRDJRUSFBXHHPA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.88
Rot. Bonds3

About 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone

1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone (PubChem CID 3598277) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone
PubChem CID3598277
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2)c[nH]c1-c1ccc[nH]1
InChIInChI=1S/C16H14N2O/c1-11(19)15-13(12-6-3-2-4-7-12)10-18-16(15)14-8-5-9-17-14/h2-10,17-18H,1H3
InChIKeyWRDJRUSFBXHHPA-UHFFFAOYSA-N
XLogP3.88
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone (CID 3598277) is 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(-c2ccccc2)c[nH]c1-c1ccc[nH]1.
What is the InChIKey of 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is WRDJRUSFBXHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11(19)15-13(12-6-3-2-4-7-12)10-18-16(15)14-8-5-9-17-14/h2-10,17-18H,1H3.
What are the key properties of 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone?
1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 3598277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).