1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone

C15H15NO — CID 79107239

IUPAC1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CC=Cc1ccccc1
InChIInChI=1S/C15H15NO/c1-13(17)15-10-6-12-16(15)11-5-9-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyFEZYIMFTJNQKOD-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.40
Rot. Bonds4

About 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone

1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone (PubChem CID 79107239) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone
PubChem CID79107239
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1CC=Cc1ccccc1
InChIInChI=1S/C15H15NO/c1-13(17)15-10-6-12-16(15)11-5-9-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyFEZYIMFTJNQKOD-UHFFFAOYSA-N
XLogP3.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-[2-(2-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]acetic acid
CID 69143420
[1-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 67511852
1-[1-(4-phenylbutyl)pyrrol-2-yl]ethanone
CID 114334265
(2S)-2-[3-[(E)-3-[2-(3-hydroxybenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]propanoic acid
CID 58863664
2-methyl-2-[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]propanoic acid
CID 10158017
2-[N-[[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]methyl]anilino]acetic acid
CID 142822410
1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007
2-[[3-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenyl]methyl]butanoic acid
CID 85065123
[1-[(E)-3-(4-chloro-3-hydroxyphenyl)prop-2-enyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 89258991
(2R)-2-methyl-3-[3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]phenoxy]propanoic acid
CID 58696402
acetic acid;stilbene
CID 172803728
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone (CID 79107239) is 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1CC=Cc1ccccc1.
What is the InChIKey of 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone?
The InChIKey is FEZYIMFTJNQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-13(17)15-10-6-12-16(15)11-5-9-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3.
What are the key properties of 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone?
1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone has a molecular weight of 225.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 79107239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).