1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one

C15H14ClN3O2 — CID 66710725

IUPAC1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one
SMILESCN(C)C=CC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C15H14ClN3O2/c1-18(2)8-6-13(20)15-14(21)7-9-19(17-15)12-5-3-4-11(16)10-12/h3-10H,1-2H3
InChIKeyONAXZMGENIWYRJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one

1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one (PubChem CID 66710725) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one
PubChem CID66710725
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one
SMILESCN(C)C=CC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C15H14ClN3O2/c1-18(2)8-6-13(20)15-14(21)7-9-19(17-15)12-5-3-4-11(16)10-12/h3-10H,1-2H3
InChIKeyONAXZMGENIWYRJ-UHFFFAOYSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one (CID 66710725) is 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one is CN(C)C=CC(=O)c1nn(-c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one?
The InChIKey is ONAXZMGENIWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-18(2)8-6-13(20)15-14(21)7-9-19(17-15)12-5-3-4-11(16)10-12/h3-10H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one?
1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one has a molecular weight of 303.75 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(dimethylamino)prop-2-enoyl]pyridazin-4-one is sourced from PubChem (CID 66710725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).