1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

C15H13NO — CID 71400439

IUPAC1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESC=Cc1ccc(C(=O)C=Cc2ccc[nH]2)cc1
InChIInChI=1S/C15H13NO/c1-2-12-5-7-13(8-6-12)15(17)10-9-14-4-3-11-16-14/h2-11,16H,1H2
InChIKeyBJTLDDSJYCTUKE-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one (PubChem CID 71400439) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
PubChem CID71400439
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESC=Cc1ccc(C(=O)C=Cc2ccc[nH]2)cc1
InChIInChI=1S/C15H13NO/c1-2-12-5-7-13(8-6-12)15(17)10-9-14-4-3-11-16-14/h2-11,16H,1H2
InChIKeyBJTLDDSJYCTUKE-UHFFFAOYSA-N
XLogP3.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-bromophenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19541396
1-(4-iodophenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 2939643
4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoic acid;styrene
CID 174464147
(E)-1-(1-methylpyrazol-4-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19543332
(E)-2-oxo-4-(1H-pyrrol-2-yl)but-3-enoic acid
CID 103689342
(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 87266341
(E)-1-(10H-phenothiazin-2-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19544559
methyl 4-[2-(1H-pyrrol-2-yl)ethenyl]benzoate
CID 54117004
1-(4-ethenylphenyl)pent-2-en-1-one
CID 173330480
(E)-1-(5-methylthiophen-2-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19555209
2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
(E)-3-[4-[2-(4-ethenylphenoxy)ethoxy]phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 22026719

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one (CID 71400439) is 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one is C=Cc1ccc(C(=O)C=Cc2ccc[nH]2)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The InChIKey is BJTLDDSJYCTUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-12-5-7-13(8-6-12)15(17)10-9-14-4-3-11-16-14/h2-11,16H,1H2.
What are the key properties of 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one has a molecular weight of 223.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 71400439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).