2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C15H24N4O2 — CID 103073105

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESC=C(CNCC)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-4-16-8-12(2)10-19-15(20)7-13(9-17-19)18-6-5-14(11-18)21-3/h7,9,14,16H,2,4-6,8,10-11H2,1,3H3
InChIKeyNSUXDLBXCJTZFU-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds7

About 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 103073105) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID103073105
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESC=C(CNCC)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-4-16-8-12(2)10-19-15(20)7-13(9-17-19)18-6-5-14(11-18)21-3/h7,9,14,16H,2,4-6,8,10-11H2,1,3H3
InChIKeyNSUXDLBXCJTZFU-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 103073105) is 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is C=C(CNCC)Cn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is NSUXDLBXCJTZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-16-8-12(2)10-19-15(20)7-13(9-17-19)18-6-5-14(11-18)21-3/h7,9,14,16H,2,4-6,8,10-11H2,1,3H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103073105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).