2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

C14H20ClN3O2 — CID 103065890

IUPAC2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESC=C(CCl)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H20ClN3O2/c1-11(7-15)9-18-13(19)6-12(8-16-18)17-4-5-20-14(2,3)10-17/h6,8H,1,4-5,7,9-10H2,2-3H3
InChIKeyCMZDDNAXBXPIMD-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 103065890) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID103065890
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESC=C(CCl)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H20ClN3O2/c1-11(7-15)9-18-13(19)6-12(8-16-18)17-4-5-20-14(2,3)10-17/h6,8H,1,4-5,7,9-10H2,2-3H3
InChIKeyCMZDDNAXBXPIMD-UHFFFAOYSA-N
XLogP1.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
2-(3-Chloropropyl)-4-ethoxy-5-morpholin-4-ylpyridazin-3-one
CID 85897656
2-[2-(Chloromethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
CID 103065884
2-[2-(Chloromethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103065885
2-[2-(Chloromethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103065891
2-[2-(Chloromethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 103065892
2-[2-(Aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103073097
5-(2,2-Dimethylmorpholin-4-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073098
5-(2,2-Dimethylmorpholin-4-yl)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074104
2-[2-(2-Aminoethoxy)ethyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103482437
5-(2,2-dimethylmorpholin-4-yl)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920978
5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 103065890) is 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is C=C(CCl)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is CMZDDNAXBXPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-11(7-15)9-18-13(19)6-12(8-16-18)17-4-5-20-14(2,3)10-17/h6,8H,1,4-5,7,9-10H2,2-3H3.
What are the key properties of 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 297.79 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 103065890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).