(E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

C13H10FNO — CID 7185492

IUPAC(E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(F)c1)c1ccc[nH]1
InChIInChI=1S/C13H10FNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1-9,15H/b7-6+
InChIKeyUKHJMDYKTDTNPG-VOTSOKGWSA-N
MW215.23 g/mol
LogP3.05
Rot. Bonds3

About (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one

(E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one (PubChem CID 7185492) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
PubChem CID7185492
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name(E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(F)c1)c1ccc[nH]1
InChIInChI=1S/C13H10FNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1-9,15H/b7-6+
InChIKeyUKHJMDYKTDTNPG-VOTSOKGWSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.05
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

(Z)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 92929303
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2464612
3-(3,4-dimethoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 2952582
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(E)-1-(2-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 155562698
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 131632623
3-(4-nitrophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 67254826
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 5025678
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 4149722

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one (CID 7185492) is (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is O=C(/C=C/c1cccc(F)c1)c1ccc[nH]1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The InChIKey is UKHJMDYKTDTNPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10FNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1-9,15H/b7-6+.
What are the key properties of (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
(E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one has a molecular weight of 215.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 7185492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).