5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one

C19H13ClN2O2 — CID 52912628

IUPAC5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cnn(-c2ccccc2)c(=O)c1
InChIInChI=1S/C19H13ClN2O2/c20-16-9-6-14(7-10-16)8-11-18(23)15-12-19(24)22(21-13-15)17-4-2-1-3-5-17/h1-13H/b11-8+
InChIKeyRPGQWVFBRIICOP-DHZHZOJOSA-N
MW336.78 g/mol
LogP3.78
Rot. Bonds4

About 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one

5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one (PubChem CID 52912628) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one
PubChem CID52912628
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cnn(-c2ccccc2)c(=O)c1
InChIInChI=1S/C19H13ClN2O2/c20-16-9-6-14(7-10-16)8-11-18(23)15-12-19(24)22(21-13-15)17-4-2-1-3-5-17/h1-13H/b11-8+
InChIKeyRPGQWVFBRIICOP-DHZHZOJOSA-N
XLogP3.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
3-(4-chlorophenyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
CID 74376737
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 11145237
(E)-3-(4-chlorophenyl)-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 10852278
2-(4-chlorophenyl)-5-hydroxypyridazin-3-one
CID 54710779
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
(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-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
CID 2795097
(E)-3-(4-chlorophenyl)-1-[3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]prop-2-en-1-one
CID 45028633
1-(3-chlorophenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
CID 76858273
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1H-pyridin-2-one
CID 138043661

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one?
The IUPAC name of 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one (CID 52912628) is 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one is O=C(/C=C/c1ccc(Cl)cc1)c1cnn(-c2ccccc2)c(=O)c1.
What is the InChIKey of 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one?
The InChIKey is RPGQWVFBRIICOP-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-16-9-6-14(7-10-16)8-11-18(23)15-12-19(24)22(21-13-15)17-4-2-1-3-5-17/h1-13H/b11-8+.
What are the key properties of 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one?
5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one has a molecular weight of 336.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 52912628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).