1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone

C15H12N2O — CID 125474086

IUPAC1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)c1cc[nH]c1
InChIInChI=1S/C15H12N2O/c18-15(13-7-8-16-11-13)12-3-5-14(6-4-12)17-9-1-2-10-17/h1-11,16H
InChIKeyHFEXLZXPSFROGD-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.04
Rot. Bonds3

About 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone

1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 125474086) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone
PubChem CID125474086
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)c1cc[nH]c1
InChIInChI=1S/C15H12N2O/c18-15(13-7-8-16-11-13)12-3-5-14(6-4-12)17-9-1-2-10-17/h1-11,16H
InChIKeyHFEXLZXPSFROGD-UHFFFAOYSA-N
XLogP3.04
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone (CID 125474086) is 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is HFEXLZXPSFROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(13-7-8-16-11-13)12-3-5-14(6-4-12)17-9-1-2-10-17/h1-11,16H.
What are the key properties of 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone?
1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 236.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-yl-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 125474086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).