1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one

C19H17NO — CID 71413541

IUPAC1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C19H17NO/c21-19(16-10-5-2-6-11-16)14-17(18-12-7-13-20-18)15-8-3-1-4-9-15/h1-13,17,20H,14H2
InChIKeyLPLLHFVUCANPQW-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.42
Rot. Bonds5

About 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one

1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 71413541) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID71413541
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C19H17NO/c21-19(16-10-5-2-6-11-16)14-17(18-12-7-13-20-18)15-8-3-1-4-9-15/h1-13,17,20H,14H2
InChIKeyLPLLHFVUCANPQW-UHFFFAOYSA-N
XLogP4.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1H-indole-3-carboxamide
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Phenyl(1H-pyrrol-2-YL)methanone
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Indole, 3-((diethylamino)acetyl)-
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Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one (CID 71413541) is 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one is O=C(CC(c1ccccc1)c1ccc[nH]1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is LPLLHFVUCANPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19(16-10-5-2-6-11-16)14-17(18-12-7-13-20-18)15-8-3-1-4-9-15/h1-13,17,20H,14H2.
What are the key properties of 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 71413541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).