1-phenyl-2-(1H-pyrrol-2-yl)ethanone

C12H11NO — CID 57276670

IUPAC1-phenyl-2-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc[nH]1)c1ccccc1
InChIInChI=1S/C12H11NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeySWSIKJHQXQBBGI-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.44
Rot. Bonds3

About 1-phenyl-2-(1H-pyrrol-2-yl)ethanone

1-phenyl-2-(1H-pyrrol-2-yl)ethanone (PubChem CID 57276670) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-phenyl-2-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(1H-pyrrol-2-yl)ethanone
PubChem CID57276670
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-phenyl-2-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc[nH]1)c1ccccc1
InChIInChI=1S/C12H11NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKeySWSIKJHQXQBBGI-UHFFFAOYSA-N
XLogP2.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
4-Benzoylpyridine
CID 26731
Indole-5-carboxamide
CID 14973220
2-Propionylpyrrole
CID 61260
Phenyl-3-pyridinylmethanone
CID 21540
3-Acetylindole
CID 12802
2-Benzoylpyridine
CID 7038
1H-indole-3-carboxamide
CID 2192542
Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Indole-5-carboxaldehyde
CID 589040

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-phenyl-2-(1H-pyrrol-2-yl)ethanone (CID 57276670) is 1-phenyl-2-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(1H-pyrrol-2-yl)ethanone is O=C(Cc1ccc[nH]1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1H-pyrrol-2-yl)ethanone?
The InChIKey is SWSIKJHQXQBBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-8,13H,9H2.
What are the key properties of 1-phenyl-2-(1H-pyrrol-2-yl)ethanone?
1-phenyl-2-(1H-pyrrol-2-yl)ethanone has a molecular weight of 185.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 57276670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).