1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone

C15H15NO — CID 101223052

IUPAC1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone
SMILESCC(=O)n1cccc1/C=C/c1ccccc1C
InChIInChI=1S/C15H15NO/c1-12-6-3-4-7-14(12)9-10-15-8-5-11-16(15)13(2)17/h3-11H,1-2H3/b10-9+
InChIKeyHCZDWXSMSMJXOL-MDZDMXLPSA-N
MW225.29 g/mol
LogP3.63
Rot. Bonds2

About 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone

1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone (PubChem CID 101223052) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone
PubChem CID101223052
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone
SMILESCC(=O)n1cccc1/C=C/c1ccccc1C
InChIInChI=1S/C15H15NO/c1-12-6-3-4-7-14(12)9-10-15-8-5-11-16(15)13(2)17/h3-11H,1-2H3/b10-9+
InChIKeyHCZDWXSMSMJXOL-MDZDMXLPSA-N
XLogP3.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(E)-2-(2-methylphenyl)ethenyl]pyrrole-1-carboxylate
CID 10923114
1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
CID 23242926
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenol
CID 23028027
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
(1E,4Z,6E)-5-hydroxy-1,7-bis(2-methylphenyl)hepta-1,4,6-trien-3-one
CID 11814409
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
[(E)-2-(2-methylphenyl)ethenyl]phosphonic acid
CID 19434418
1-[5-[(E)-2-(2-methylphenyl)ethenyl]borinin-3-yl]ethanone
CID 143970128
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
2,2-difluoro-4-(2-methylphenyl)but-3-enoic acid
CID 175582352

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone?
The IUPAC name of 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone (CID 101223052) is 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone is CC(=O)n1cccc1/C=C/c1ccccc1C.
What is the InChIKey of 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone?
The InChIKey is HCZDWXSMSMJXOL-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-6-3-4-7-14(12)9-10-15-8-5-11-16(15)13(2)17/h3-11H,1-2H3/b10-9+.
What are the key properties of 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone?
1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone has a molecular weight of 225.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(2-methylphenyl)ethenyl]pyrrol-1-yl]ethanone is sourced from PubChem (CID 101223052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).