1-phenyl-3-pyrrol-1-ylprop-2-en-1-one

C13H11NO — CID 71322360

IUPAC1-phenyl-3-pyrrol-1-ylprop-2-en-1-one
SMILESO=C(C=Cn1cccc1)c1ccccc1
InChIInChI=1S/C13H11NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-11H
InChIKeyJUOJAJQWIMWTHM-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.84
Rot. Bonds3

About 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one

1-phenyl-3-pyrrol-1-ylprop-2-en-1-one (PubChem CID 71322360) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-phenyl-3-pyrrol-1-ylprop-2-en-1-one
PubChem CID71322360
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1-phenyl-3-pyrrol-1-ylprop-2-en-1-one
SMILESO=C(C=Cn1cccc1)c1ccccc1
InChIInChI=1S/C13H11NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-11H
InChIKeyJUOJAJQWIMWTHM-UHFFFAOYSA-N
XLogP2.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-imino-1-pyridinyl)-1-phenylprop-2-en-1-one
CID 126419124
(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
CID 15568556
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
1-phenylhexa-2,4-dien-1-one
CID 57351073
(Z)-1-phenylpent-2-en-1-one
CID 91998885

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one?
The IUPAC name of 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one (CID 71322360) is 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one?
The canonical SMILES for 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one is O=C(C=Cn1cccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one?
The InChIKey is JUOJAJQWIMWTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-11H.
What are the key properties of 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one?
1-phenyl-3-pyrrol-1-ylprop-2-en-1-one has a molecular weight of 197.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyrrol-1-ylprop-2-en-1-one is sourced from PubChem (CID 71322360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).