1,3-diphenylprop-2-en-1-one;1H-pyrrole

C19H17NO — CID 70390442

IUPAC1,3-diphenylprop-2-en-1-one;1H-pyrrole
SMILESO=C(C=Cc1ccccc1)c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C15H12O.C4H5N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-4-5-3-1/h1-12H;1-5H
InChIKeyXAOYCDVANBDUME-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.60
Rot. Bonds3

About 1,3-diphenylprop-2-en-1-one;1H-pyrrole

1,3-diphenylprop-2-en-1-one;1H-pyrrole (PubChem CID 70390442) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1,3-diphenylprop-2-en-1-one;1H-pyrrole.

Molecular Properties

Compound Name1,3-diphenylprop-2-en-1-one;1H-pyrrole
PubChem CID70390442
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1,3-diphenylprop-2-en-1-one;1H-pyrrole
SMILESO=C(C=Cc1ccccc1)c1ccccc1.c1cc[nH]c1
InChIInChI=1S/C15H12O.C4H5N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-4-5-3-1/h1-12H;1-5H
InChIKeyXAOYCDVANBDUME-UHFFFAOYSA-N
XLogP4.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-diphenylprop-2-en-1-one;1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
bis((E)-1,3-diphenylprop-2-en-1-one);sulfane;2H-triazole
CID 174956941
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-en-1-one;1H-pyrrole?
The IUPAC name of 1,3-diphenylprop-2-en-1-one;1H-pyrrole (CID 70390442) is 1,3-diphenylprop-2-en-1-one;1H-pyrrole.
What is the SMILES notation for 1,3-diphenylprop-2-en-1-one;1H-pyrrole?
The canonical SMILES for 1,3-diphenylprop-2-en-1-one;1H-pyrrole is O=C(C=Cc1ccccc1)c1ccccc1.c1cc[nH]c1.
What is the InChIKey of 1,3-diphenylprop-2-en-1-one;1H-pyrrole?
The InChIKey is XAOYCDVANBDUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C4H5N/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-4-5-3-1/h1-12H;1-5H.
What are the key properties of 1,3-diphenylprop-2-en-1-one;1H-pyrrole?
1,3-diphenylprop-2-en-1-one;1H-pyrrole has a molecular weight of 275.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-en-1-one;1H-pyrrole is sourced from PubChem (CID 70390442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).